[1-(3H-benzimidazol-5-yl)cyclopropyl]-pyrrolidin-1-ylmethanone

C15H17N3O — CID 70096005

IUPAC[1-(3H-benzimidazol-5-yl)cyclopropyl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)C1(c2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C15H17N3O/c19-14(18-7-1-2-8-18)15(5-6-15)11-3-4-12-13(9-11)17-10-16-12/h3-4,9-10H,1-2,5-8H2,(H,16,17)
InChIKeyQQNVKHFPVSYMRV-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.22
Rot. Bonds2

About [1-(3H-benzimidazol-5-yl)cyclopropyl]-pyrrolidin-1-ylmethanone

[1-(3H-benzimidazol-5-yl)cyclopropyl]-pyrrolidin-1-ylmethanone (PubChem CID 70096005) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is [1-(3H-benzimidazol-5-yl)cyclopropyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(3H-benzimidazol-5-yl)cyclopropyl]-pyrrolidin-1-ylmethanone
PubChem CID70096005
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name[1-(3H-benzimidazol-5-yl)cyclopropyl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)C1(c2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C15H17N3O/c19-14(18-7-1-2-8-18)15(5-6-15)11-3-4-12-13(9-11)17-10-16-12/h3-4,9-10H,1-2,5-8H2,(H,16,17)
InChIKeyQQNVKHFPVSYMRV-UHFFFAOYSA-N
XLogP2.22
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 1-(3H-benzimidazol-5-yl)cyclopropane-1-carboxylate
CID 116964016
2-(3H-benzimidazol-5-yl)-2-methylpyrrolidine-1-carboxylic acid
CID 67468996
[1-(4-bromophenyl)cyclopropyl]-piperidin-1-ylmethanone
CID 60715919
N-(3H-benzimidazol-5-yl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 108521097
3H-benzimidazol-5-yl-(4,4-dimethylazepan-1-yl)methanone
CID 65282069
2-(azepan-1-yl)-N-(3H-benzimidazol-5-yl)-2-oxoacetamide
CID 108521221
1-(3H-benzimidazol-5-yl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 83711577
1-[4-(3H-benzimidazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 60712264
[2-(azepan-1-yl)-2-oxoethyl] 3H-benzimidazole-5-carboxylate
CID 23744569
[1-(3H-benzimidazol-5-yl)cyclobutyl]methanamine
CID 82607892
6-(1-tert-butylcyclopropyl)-1H-benzimidazole
CID 118329254
1-(3H-benzimidazol-5-yl)-2-piperidin-1-ylethanone
CID 82052590

Frequently Asked Questions

What is the IUPAC name of [1-(3H-benzimidazol-5-yl)cyclopropyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(3H-benzimidazol-5-yl)cyclopropyl]-pyrrolidin-1-ylmethanone (CID 70096005) is [1-(3H-benzimidazol-5-yl)cyclopropyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(3H-benzimidazol-5-yl)cyclopropyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(3H-benzimidazol-5-yl)cyclopropyl]-pyrrolidin-1-ylmethanone is O=C(N1CCCC1)C1(c2ccc3nc[nH]c3c2)CC1.
What is the InChIKey of [1-(3H-benzimidazol-5-yl)cyclopropyl]-pyrrolidin-1-ylmethanone?
The InChIKey is QQNVKHFPVSYMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c19-14(18-7-1-2-8-18)15(5-6-15)11-3-4-12-13(9-11)17-10-16-12/h3-4,9-10H,1-2,5-8H2,(H,16,17).
What are the key properties of [1-(3H-benzimidazol-5-yl)cyclopropyl]-pyrrolidin-1-ylmethanone?
[1-(3H-benzimidazol-5-yl)cyclopropyl]-pyrrolidin-1-ylmethanone has a molecular weight of 255.32 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3H-benzimidazol-5-yl)cyclopropyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 70096005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).