1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazole-5-carbaldehyde;[1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanol;(NE)-N-[[1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methylidene]hydroxylamine;1-[3-(pyridin-2-ylmethoxymethyl)phenyl]-5-(pyrrolidin-1-ylmethyl)benzimidazole;pyrrolidine

C92H89N15O7 — CID 172973763

IUPAC1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazole-5-carbaldehyde;[1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanol;(NE)-N-[[1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methylidene]hydroxylamine;1-[3-(pyridin-2-ylmethoxymethyl)phenyl]-5-(pyrrolidin-1-ylmethyl)benzimidazole;pyrrolidine
SMILESC1CCNC1.O/N=C/c1ccc2c(c1)ncn2-c1cccc(COCc2ccccn2)c1.O=Cc1ccc2c(c1)ncn2-c1cccc(COCc2ccccn2)c1.OCc1ccc2c(c1)ncn2-c1cccc(COCc2ccccn2)c1.c1ccc(COCc2cccc(-n3cnc4cc(CN5CCCC5)ccc43)c2)nc1
InChIInChI=1S/C25H26N4O.C21H18N4O2.C21H19N3O2.C21H17N3O2.C4H9N/c1-2-11-26-22(7-1)18-30-17-21-6-5-8-23(14-21)29-19-27-24-15-20(9-10-25(24)29)16-28-12-3-4-13-28;26-24-12-16-7-8-21-20(11-16)23-15-25(21)19-6-3-4-17(10-19)13-27-14-18-5-1-2-9-22-18;2*25-12-16-7-8-21-20(11-16)23-15-24(21)19-6-3-4-17(10-19)13-26-14-18-5-1-2-9-22-18;1-2-4-5-3-1/h1-2,5-11,14-15,19H,3-4,12-13,16-18H2;1-12,15,26H,13-14H2;1-11,15,25H,12-14H2;1-12,15H,13-14H2;5H,1-4H2/b;24-12+;;;
InChIKeyMVQUMCVBLOEQCU-BWGJMBHUSA-N
MW1516.82 g/mol
LogP16.63
Rot. Bonds25

About 1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazole-5-carbaldehyde;[1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanol;(NE)-N-[[1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methylidene]hydroxylamine;1-[3-(pyridin-2-ylmethoxymethyl)phenyl]-5-(pyrrolidin-1-ylmethyl)benzimidazole;pyrrolidine

1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazole-5-carbaldehyde;[1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanol;(NE)-N-[[1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methylidene]hydroxylamine;1-[3-(pyridin-2-ylmethoxymethyl)phenyl]-5-(pyrrolidin-1-ylmethyl)benzimidazole;pyrrolidine (PubChem CID 172973763) has the molecular formula C92H89N15O7 and a molecular weight of 1516.82 g/mol. Its IUPAC name is 1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazole-5-carbaldehyde;[1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanol;(NE)-N-[[1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methylidene]hydroxylamine;1-[3-(pyridin-2-ylmethoxymethyl)phenyl]-5-(pyrrolidin-1-ylmethyl)benzimidazole;pyrrolidine.

Molecular Properties

Compound Name1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazole-5-carbaldehyde;[1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanol;(NE)-N-[[1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methylidene]hydroxylamine;1-[3-(pyridin-2-ylmethoxymethyl)phenyl]-5-(pyrrolidin-1-ylmethyl)benzimidazole;pyrrolidine
PubChem CID172973763
Molecular FormulaC92H89N15O7
Molecular Weight1516.82 g/mol
Exact Mass1515.71
IUPAC Name1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazole-5-carbaldehyde;[1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanol;(NE)-N-[[1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methylidene]hydroxylamine;1-[3-(pyridin-2-ylmethoxymethyl)phenyl]-5-(pyrrolidin-1-ylmethyl)benzimidazole;pyrrolidine
SMILESC1CCNC1.O/N=C/c1ccc2c(c1)ncn2-c1cccc(COCc2ccccn2)c1.O=Cc1ccc2c(c1)ncn2-c1cccc(COCc2ccccn2)c1.OCc1ccc2c(c1)ncn2-c1cccc(COCc2ccccn2)c1.c1ccc(COCc2cccc(-n3cnc4cc(CN5CCCC5)ccc43)c2)nc1
InChIInChI=1S/C25H26N4O.C21H18N4O2.C21H19N3O2.C21H17N3O2.C4H9N/c1-2-11-26-22(7-1)18-30-17-21-6-5-8-23(14-21)29-19-27-24-15-20(9-10-25(24)29)16-28-12-3-4-13-28;26-24-12-16-7-8-21-20(11-16)23-15-25(21)19-6-3-4-17(10-19)13-27-14-18-5-1-2-9-22-18;2*25-12-16-7-8-21-20(11-16)23-15-24(21)19-6-3-4-17(10-19)13-26-14-18-5-1-2-9-22-18;1-2-4-5-3-1/h1-2,5-11,14-15,19H,3-4,12-13,16-18H2;1-12,15,26H,13-14H2;1-11,15,25H,12-14H2;1-12,15H,13-14H2;5H,1-4H2/b;24-12+;;;
InChIKeyMVQUMCVBLOEQCU-BWGJMBHUSA-N
XLogP16.63
TPSA244.92 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds25
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001516.82
LogP ≤ 516.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazole-5-carbaldehyde;[1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanol;(NE)-N-[[1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methylidene]hydroxylamine;1-[3-(pyridin-2-ylmethoxymethyl)phenyl]-5-(pyrrolidin-1-ylmethyl)benzimidazole;pyrrolidine?
The IUPAC name of 1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazole-5-carbaldehyde;[1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanol;(NE)-N-[[1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methylidene]hydroxylamine;1-[3-(pyridin-2-ylmethoxymethyl)phenyl]-5-(pyrrolidin-1-ylmethyl)benzimidazole;pyrrolidine (CID 172973763) is 1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazole-5-carbaldehyde;[1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanol;(NE)-N-[[1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methylidene]hydroxylamine;1-[3-(pyridin-2-ylmethoxymethyl)phenyl]-5-(pyrrolidin-1-ylmethyl)benzimidazole;pyrrolidine.
What is the SMILES notation for 1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazole-5-carbaldehyde;[1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanol;(NE)-N-[[1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methylidene]hydroxylamine;1-[3-(pyridin-2-ylmethoxymethyl)phenyl]-5-(pyrrolidin-1-ylmethyl)benzimidazole;pyrrolidine?
The canonical SMILES for 1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazole-5-carbaldehyde;[1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanol;(NE)-N-[[1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methylidene]hydroxylamine;1-[3-(pyridin-2-ylmethoxymethyl)phenyl]-5-(pyrrolidin-1-ylmethyl)benzimidazole;pyrrolidine is C1CCNC1.O/N=C/c1ccc2c(c1)ncn2-c1cccc(COCc2ccccn2)c1.O=Cc1ccc2c(c1)ncn2-c1cccc(COCc2ccccn2)c1.OCc1ccc2c(c1)ncn2-c1cccc(COCc2ccccn2)c1.c1ccc(COCc2cccc(-n3cnc4cc(CN5CCCC5)ccc43)c2)nc1.
What is the InChIKey of 1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazole-5-carbaldehyde;[1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanol;(NE)-N-[[1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methylidene]hydroxylamine;1-[3-(pyridin-2-ylmethoxymethyl)phenyl]-5-(pyrrolidin-1-ylmethyl)benzimidazole;pyrrolidine?
The InChIKey is MVQUMCVBLOEQCU-BWGJMBHUSA-N. The full InChI is InChI=1S/C25H26N4O.C21H18N4O2.C21H19N3O2.C21H17N3O2.C4H9N/c1-2-11-26-22(7-1)18-30-17-21-6-5-8-23(14-21)29-19-27-24-15-20(9-10-25(24)29)16-28-12-3-4-13-28;26-24-12-16-7-8-21-20(11-16)23-15-25(21)19-6-3-4-17(10-19)13-27-14-18-5-1-2-9-22-18;2*25-12-16-7-8-21-20(11-16)23-15-24(21)19-6-3-4-17(10-19)13-26-14-18-5-1-2-9-22-18;1-2-4-5-3-1/h1-2,5-11,14-15,19H,3-4,12-13,16-18H2;1-12,15,26H,13-14H2;1-11,15,25H,12-14H2;1-12,15H,13-14H2;5H,1-4H2/b;24-12+;;;.
What are the key properties of 1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazole-5-carbaldehyde;[1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanol;(NE)-N-[[1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methylidene]hydroxylamine;1-[3-(pyridin-2-ylmethoxymethyl)phenyl]-5-(pyrrolidin-1-ylmethyl)benzimidazole;pyrrolidine?
1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazole-5-carbaldehyde;[1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanol;(NE)-N-[[1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methylidene]hydroxylamine;1-[3-(pyridin-2-ylmethoxymethyl)phenyl]-5-(pyrrolidin-1-ylmethyl)benzimidazole;pyrrolidine has a molecular weight of 1516.82 g/mol, XLogP of 16.63, 25 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazole-5-carbaldehyde;[1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanol;(NE)-N-[[1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methylidene]hydroxylamine;1-[3-(pyridin-2-ylmethoxymethyl)phenyl]-5-(pyrrolidin-1-ylmethyl)benzimidazole;pyrrolidine is sourced from PubChem (CID 172973763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).