1-[1H-benzimidazol-2-ylmethyl(furan-2-ylmethyl)amino]-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol

C21H25N5O2 — CID 46962152

IUPAC1-[1H-benzimidazol-2-ylmethyl(furan-2-ylmethyl)amino]-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
SMILESCc1cc(C)n(CC(O)CN(Cc2nc3ccccc3[nH]2)Cc2ccco2)n1
InChIInChI=1S/C21H25N5O2/c1-15-10-16(2)26(24-15)12-17(27)11-25(13-18-6-5-9-28-18)14-21-22-19-7-3-4-8-20(19)23-21/h3-10,17,27H,11-14H2,1-2H3,(H,22,23)
InChIKeyQCZBXUJGYFXLOF-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.03
Rot. Bonds8

About 1-[1H-benzimidazol-2-ylmethyl(furan-2-ylmethyl)amino]-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol

1-[1H-benzimidazol-2-ylmethyl(furan-2-ylmethyl)amino]-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol (PubChem CID 46962152) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-[1H-benzimidazol-2-ylmethyl(furan-2-ylmethyl)amino]-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[1H-benzimidazol-2-ylmethyl(furan-2-ylmethyl)amino]-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
PubChem CID46962152
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name1-[1H-benzimidazol-2-ylmethyl(furan-2-ylmethyl)amino]-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
SMILESCc1cc(C)n(CC(O)CN(Cc2nc3ccccc3[nH]2)Cc2ccco2)n1
InChIInChI=1S/C21H25N5O2/c1-15-10-16(2)26(24-15)12-17(27)11-25(13-18-6-5-9-28-18)14-21-22-19-7-3-4-8-20(19)23-21/h3-10,17,27H,11-14H2,1-2H3,(H,22,23)
InChIKeyQCZBXUJGYFXLOF-UHFFFAOYSA-N
XLogP3.03
TPSA83.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(quinolin-8-ylmethyl)amino]propan-2-ol
CID 43818313
1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(oxolan-3-ylmethyl)amino]propan-2-ol
CID 43818314
N-(1H-benzimidazol-2-ylmethyl)-N-(furan-2-ylmethyl)prop-2-en-1-amine
CID 46989535
(2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
CID 95197634
acetic acid;1,3-bis[bis(1H-benzimidazol-2-ylmethyl)amino]propan-2-ol;manganese
CID 91867985
CID 11968265
CID 11968265
3-[1H-benzimidazol-2-ylmethyl(benzyl)amino]-2-methylpropan-1-ol
CID 46985414
1-[furan-2-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]pentan-2-ol
CID 24713749
1-bromo-3-[ethyl(furan-2-ylmethyl)amino]propan-2-ol
CID 112561353
ethyl 2-[[[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-(furan-2-ylmethyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 93195724
2-[[furan-2-ylmethyl-(2-hydroxy-3-prop-2-ynoxypropyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 42839852
2-[[furan-2-ylmethyl-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 42839451

Frequently Asked Questions

What is the IUPAC name of 1-[1H-benzimidazol-2-ylmethyl(furan-2-ylmethyl)amino]-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol?
The IUPAC name of 1-[1H-benzimidazol-2-ylmethyl(furan-2-ylmethyl)amino]-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol (CID 46962152) is 1-[1H-benzimidazol-2-ylmethyl(furan-2-ylmethyl)amino]-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-[1H-benzimidazol-2-ylmethyl(furan-2-ylmethyl)amino]-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol?
The canonical SMILES for 1-[1H-benzimidazol-2-ylmethyl(furan-2-ylmethyl)amino]-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol is Cc1cc(C)n(CC(O)CN(Cc2nc3ccccc3[nH]2)Cc2ccco2)n1.
What is the InChIKey of 1-[1H-benzimidazol-2-ylmethyl(furan-2-ylmethyl)amino]-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol?
The InChIKey is QCZBXUJGYFXLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-15-10-16(2)26(24-15)12-17(27)11-25(13-18-6-5-9-28-18)14-21-22-19-7-3-4-8-20(19)23-21/h3-10,17,27H,11-14H2,1-2H3,(H,22,23).
What are the key properties of 1-[1H-benzimidazol-2-ylmethyl(furan-2-ylmethyl)amino]-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol?
1-[1H-benzimidazol-2-ylmethyl(furan-2-ylmethyl)amino]-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol has a molecular weight of 379.46 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1H-benzimidazol-2-ylmethyl(furan-2-ylmethyl)amino]-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol is sourced from PubChem (CID 46962152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).