2-(6-chloro-1H-benzimidazol-2-yl)-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropane-1-carboxamide

C18H18ClN5O2 — CID 130245553

IUPAC2-(6-chloro-1H-benzimidazol-2-yl)-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropane-1-carboxamide
SMILESC[C@@H](NC(=O)C1CC1c1nc2ccc(Cl)cc2[nH]1)c1nc(C2CC2)no1
InChIInChI=1S/C18H18ClN5O2/c1-8(18-23-15(24-26-18)9-2-3-9)20-17(25)12-7-11(12)16-21-13-5-4-10(19)6-14(13)22-16/h4-6,8-9,11-12H,2-3,7H2,1H3,(H,20,25)(H,21,22)/t8-,11?,12?/m1/s1
InChIKeyVYBUHCSDRKECES-HUUUCTMMSA-N
MW371.83 g/mol
LogP3.46
Rot. Bonds5

About 2-(6-chloro-1H-benzimidazol-2-yl)-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropane-1-carboxamide

2-(6-chloro-1H-benzimidazol-2-yl)-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 130245553) has the molecular formula C18H18ClN5O2 and a molecular weight of 371.83 g/mol. Its IUPAC name is 2-(6-chloro-1H-benzimidazol-2-yl)-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(6-chloro-1H-benzimidazol-2-yl)-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropane-1-carboxamide
PubChem CID130245553
Molecular FormulaC18H18ClN5O2
Molecular Weight371.83 g/mol
Exact Mass371.11
IUPAC Name2-(6-chloro-1H-benzimidazol-2-yl)-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropane-1-carboxamide
SMILESC[C@@H](NC(=O)C1CC1c1nc2ccc(Cl)cc2[nH]1)c1nc(C2CC2)no1
InChIInChI=1S/C18H18ClN5O2/c1-8(18-23-15(24-26-18)9-2-3-9)20-17(25)12-7-11(12)16-21-13-5-4-10(19)6-14(13)22-16/h4-6,8-9,11-12H,2-3,7H2,1H3,(H,20,25)(H,21,22)/t8-,11?,12?/m1/s1
InChIKeyVYBUHCSDRKECES-HUUUCTMMSA-N
XLogP3.46
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-chloro-1H-benzimidazol-2-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide
CID 130245846
trans-(1R,2R)-N-[(1R)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 98799539
trans-(1R,2R)-2-(6-chloro-1H-benzimidazol-2-yl)-N-[(1R)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]cyclopropane-1-carboxamide
CID 135377386
ethyl 2-(6-chloro-1H-benzimidazol-2-yl)cyclopropane-1-carboxylate
CID 135377555
trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-(1-quinolin-2-ylethyl)cyclopropane-1-carboxamide
CID 135377878
trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-(1-furo[3,2-b]pyridin-2-ylethyl)cyclopropane-1-carboxamide
CID 130245599
6-chloro-2-(2-methylcyclopropyl)-1H-benzimidazole
CID 60648934
trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[(1S)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]cyclopropane-1-carboxamide
CID 135378281
N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]furan-3-carboxamide
CID 122564099
(2R)-2-[[2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]amino]propanoic acid
CID 146264225
(2S)-2-(1H-benzimidazol-2-yl)-N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropane-1-carboxamide
CID 163500131
2-(3-chloro-4-fluorophenoxy)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 91771175

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-benzimidazol-2-yl)-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(6-chloro-1H-benzimidazol-2-yl)-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropane-1-carboxamide (CID 130245553) is 2-(6-chloro-1H-benzimidazol-2-yl)-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(6-chloro-1H-benzimidazol-2-yl)-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(6-chloro-1H-benzimidazol-2-yl)-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropane-1-carboxamide is C[C@@H](NC(=O)C1CC1c1nc2ccc(Cl)cc2[nH]1)c1nc(C2CC2)no1.
What is the InChIKey of 2-(6-chloro-1H-benzimidazol-2-yl)-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is VYBUHCSDRKECES-HUUUCTMMSA-N. The full InChI is InChI=1S/C18H18ClN5O2/c1-8(18-23-15(24-26-18)9-2-3-9)20-17(25)12-7-11(12)16-21-13-5-4-10(19)6-14(13)22-16/h4-6,8-9,11-12H,2-3,7H2,1H3,(H,20,25)(H,21,22)/t8-,11?,12?/m1/s1.
What are the key properties of 2-(6-chloro-1H-benzimidazol-2-yl)-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropane-1-carboxamide?
2-(6-chloro-1H-benzimidazol-2-yl)-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 371.83 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-benzimidazol-2-yl)-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 130245553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).