1-[1-(1H-benzimidazol-2-ylmethyl)pyrrolidin-2-yl]cyclopropan-1-ol

C15H19N3O — CID 138383651

IUPAC1-[1-(1H-benzimidazol-2-ylmethyl)pyrrolidin-2-yl]cyclopropan-1-ol
SMILESOC1(C2CCCN2Cc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C15H19N3O/c19-15(7-8-15)13-6-3-9-18(13)10-14-16-11-4-1-2-5-12(11)17-14/h1-2,4-5,13,19H,3,6-10H2,(H,16,17)
InChIKeyFDANGWSJTMRDMH-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.05
Rot. Bonds3

About 1-[1-(1H-benzimidazol-2-ylmethyl)pyrrolidin-2-yl]cyclopropan-1-ol

1-[1-(1H-benzimidazol-2-ylmethyl)pyrrolidin-2-yl]cyclopropan-1-ol (PubChem CID 138383651) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-[1-(1H-benzimidazol-2-ylmethyl)pyrrolidin-2-yl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[1-(1H-benzimidazol-2-ylmethyl)pyrrolidin-2-yl]cyclopropan-1-ol
PubChem CID138383651
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-[1-(1H-benzimidazol-2-ylmethyl)pyrrolidin-2-yl]cyclopropan-1-ol
SMILESOC1(C2CCCN2Cc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C15H19N3O/c19-15(7-8-15)13-6-3-9-18(13)10-14-16-11-4-1-2-5-12(11)17-14/h1-2,4-5,13,19H,3,6-10H2,(H,16,17)
InChIKeyFDANGWSJTMRDMH-UHFFFAOYSA-N
XLogP2.05
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-phenylpyrrolidin-1-yl)methyl]-1H-benzimidazole
CID 175651550
2-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 46981222
2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride
CID 3063303
(4aR,10bR)-1-(1H-benzimidazol-2-ylmethyl)-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline
CID 68945912
2-[(4-ethyl-1,4-diazepan-1-yl)methyl]-1H-benzimidazole
CID 142265346
(1S,5R)-9-(1H-benzimidazol-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 165420337
1-(1H-benzimidazol-2-ylmethyl)-4-methylpiperidin-3-ol
CID 104926835
2-(1H-benzimidazol-2-yl)-1-[(4S)-4-methylazepan-1-yl]ethanone
CID 126432563
1-[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine
CID 61204225
2-[1H-benzimidazol-2-ylmethyl(methyl)amino]cyclohexan-1-ol
CID 102636442
2-[(3-methylidenepiperidin-1-yl)methyl]-1H-benzimidazole
CID 122244910
2-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole
CID 126892606

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-benzimidazol-2-ylmethyl)pyrrolidin-2-yl]cyclopropan-1-ol?
The IUPAC name of 1-[1-(1H-benzimidazol-2-ylmethyl)pyrrolidin-2-yl]cyclopropan-1-ol (CID 138383651) is 1-[1-(1H-benzimidazol-2-ylmethyl)pyrrolidin-2-yl]cyclopropan-1-ol.
What is the SMILES notation for 1-[1-(1H-benzimidazol-2-ylmethyl)pyrrolidin-2-yl]cyclopropan-1-ol?
The canonical SMILES for 1-[1-(1H-benzimidazol-2-ylmethyl)pyrrolidin-2-yl]cyclopropan-1-ol is OC1(C2CCCN2Cc2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 1-[1-(1H-benzimidazol-2-ylmethyl)pyrrolidin-2-yl]cyclopropan-1-ol?
The InChIKey is FDANGWSJTMRDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c19-15(7-8-15)13-6-3-9-18(13)10-14-16-11-4-1-2-5-12(11)17-14/h1-2,4-5,13,19H,3,6-10H2,(H,16,17).
What are the key properties of 1-[1-(1H-benzimidazol-2-ylmethyl)pyrrolidin-2-yl]cyclopropan-1-ol?
1-[1-(1H-benzimidazol-2-ylmethyl)pyrrolidin-2-yl]cyclopropan-1-ol has a molecular weight of 257.34 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-benzimidazol-2-ylmethyl)pyrrolidin-2-yl]cyclopropan-1-ol is sourced from PubChem (CID 138383651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).