1-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfanylcyclopropane-1-carboxamide

C20H27N3OS — CID 143535020

IUPAC1-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfanylcyclopropane-1-carboxamide
SMILESCC(C)(C)Cc1nc2cc(SC3(C(N)=O)CC3)ccc2n1CC1CC1
InChIInChI=1S/C20H27N3OS/c1-19(2,3)11-17-22-15-10-14(25-20(8-9-20)18(21)24)6-7-16(15)23(17)12-13-4-5-13/h6-7,10,13H,4-5,8-9,11-12H2,1-3H3,(H2,21,24)
InChIKeyJBOLZKVDSWHWAC-UHFFFAOYSA-N
MW357.52 g/mol
LogP4.14
Rot. Bonds6

About 1-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfanylcyclopropane-1-carboxamide

1-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfanylcyclopropane-1-carboxamide (PubChem CID 143535020) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfanylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfanylcyclopropane-1-carboxamide
PubChem CID143535020
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC Name1-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfanylcyclopropane-1-carboxamide
SMILESCC(C)(C)Cc1nc2cc(SC3(C(N)=O)CC3)ccc2n1CC1CC1
InChIInChI=1S/C20H27N3OS/c1-19(2,3)11-17-22-15-10-14(25-20(8-9-20)18(21)24)6-7-16(15)23(17)12-13-4-5-13/h6-7,10,13H,4-5,8-9,11-12H2,1-3H3,(H2,21,24)
InChIKeyJBOLZKVDSWHWAC-UHFFFAOYSA-N
XLogP4.14
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfanyl propanoate
CID 91398055
ethane;methyl 2-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfanylacetate
CID 143965000
(3S)-3-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonylpyrrolidine-1-carboxamide
CID 46852208
[2-(2,2-dimethylpropyl)-1-(oxan-4-ylmethyl)benzimidazol-5-yl]sulfonyl 2-methylpropanoate
CID 87607486
CID 163626927
CID 163626927
[4-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonyl-1-tritylpiperidin-4-yl]methanol
CID 58513617
2-ethyl-1-[(4-ethylcyclohexyl)methyl]benzimidazol-5-amine
CID 63498106
1-[4-[[2-tert-butyl-5-(cyclopropylmethylsulfanyl)benzimidazol-1-yl]methyl]piperidin-1-yl]ethanone
CID 59192452
4-[[1-[2-(dimethylamino)ethyl]-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfanylmethyl]piperidine-1-carboxylic acid
CID 91192883
1-cyclopentyl-2-(2,2-dimethylpropyl)benzimidazol-5-amine
CID 96668227
1-(cyclopropylmethyl)-2-methylbenzimidazole-5-carboxylic acid
CID 43140453
1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-4-(propan-2-ylsulfonylmethyl)benzimidazole;hydrochloride
CID 69423949

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfanylcyclopropane-1-carboxamide?
The IUPAC name of 1-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfanylcyclopropane-1-carboxamide (CID 143535020) is 1-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfanylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfanylcyclopropane-1-carboxamide?
The canonical SMILES for 1-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfanylcyclopropane-1-carboxamide is CC(C)(C)Cc1nc2cc(SC3(C(N)=O)CC3)ccc2n1CC1CC1.
What is the InChIKey of 1-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfanylcyclopropane-1-carboxamide?
The InChIKey is JBOLZKVDSWHWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-19(2,3)11-17-22-15-10-14(25-20(8-9-20)18(21)24)6-7-16(15)23(17)12-13-4-5-13/h6-7,10,13H,4-5,8-9,11-12H2,1-3H3,(H2,21,24).
What are the key properties of 1-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfanylcyclopropane-1-carboxamide?
1-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfanylcyclopropane-1-carboxamide has a molecular weight of 357.52 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfanylcyclopropane-1-carboxamide is sourced from PubChem (CID 143535020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).