1-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-(6,7-dimethyl-3H-benzimidazol-5-yl)urea

C20H23N5O — CID 97453549

IUPAC1-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-(6,7-dimethyl-3H-benzimidazol-5-yl)urea
SMILESCc1ccnc([C@H](NC(=O)Nc2cc3[nH]cnc3c(C)c2C)C2CC2)c1
InChIInChI=1S/C20H23N5O/c1-11-6-7-21-16(8-11)19(14-4-5-14)25-20(26)24-15-9-17-18(23-10-22-17)13(3)12(15)2/h6-10,14,19H,4-5H2,1-3H3,(H,22,23)(H2,24,25,26)/t19-/m1/s1
InChIKeyONKFYYUBWCEFGG-LJQANCHMSA-N
MW349.44 g/mol
LogP4.16
Rot. Bonds4

About 1-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-(6,7-dimethyl-3H-benzimidazol-5-yl)urea

1-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-(6,7-dimethyl-3H-benzimidazol-5-yl)urea (PubChem CID 97453549) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-(6,7-dimethyl-3H-benzimidazol-5-yl)urea.

Molecular Properties

Compound Name1-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-(6,7-dimethyl-3H-benzimidazol-5-yl)urea
PubChem CID97453549
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name1-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-(6,7-dimethyl-3H-benzimidazol-5-yl)urea
SMILESCc1ccnc([C@H](NC(=O)Nc2cc3[nH]cnc3c(C)c2C)C2CC2)c1
InChIInChI=1S/C20H23N5O/c1-11-6-7-21-16(8-11)19(14-4-5-14)25-20(26)24-15-9-17-18(23-10-22-17)13(3)12(15)2/h6-10,14,19H,4-5H2,1-3H3,(H,22,23)(H2,24,25,26)/t19-/m1/s1
InChIKeyONKFYYUBWCEFGG-LJQANCHMSA-N
XLogP4.16
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-(6,7-dimethyl-3H-benzimidazol-5-yl)urea?
The IUPAC name of 1-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-(6,7-dimethyl-3H-benzimidazol-5-yl)urea (CID 97453549) is 1-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-(6,7-dimethyl-3H-benzimidazol-5-yl)urea.
What is the SMILES notation for 1-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-(6,7-dimethyl-3H-benzimidazol-5-yl)urea?
The canonical SMILES for 1-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-(6,7-dimethyl-3H-benzimidazol-5-yl)urea is Cc1ccnc([C@H](NC(=O)Nc2cc3[nH]cnc3c(C)c2C)C2CC2)c1.
What is the InChIKey of 1-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-(6,7-dimethyl-3H-benzimidazol-5-yl)urea?
The InChIKey is ONKFYYUBWCEFGG-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23N5O/c1-11-6-7-21-16(8-11)19(14-4-5-14)25-20(26)24-15-9-17-18(23-10-22-17)13(3)12(15)2/h6-10,14,19H,4-5H2,1-3H3,(H,22,23)(H2,24,25,26)/t19-/m1/s1.
What are the key properties of 1-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-(6,7-dimethyl-3H-benzimidazol-5-yl)urea?
1-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-(6,7-dimethyl-3H-benzimidazol-5-yl)urea has a molecular weight of 349.44 g/mol, XLogP of 4.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-(6,7-dimethyl-3H-benzimidazol-5-yl)urea is sourced from PubChem (CID 97453549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).