cis-(1R,2S)-N-(1-cyclohexylbenzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

C21H25N5O — CID 95348568

IUPACcis-(1R,2S)-N-(1-cyclohexylbenzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCn1cc([C@H]2C[C@H]2C(=O)Nc2nc3ccccc3n2C2CCCCC2)cn1
InChIInChI=1S/C21H25N5O/c1-25-13-14(12-22-25)16-11-17(16)20(27)24-21-23-18-9-5-6-10-19(18)26(21)15-7-3-2-4-8-15/h5-6,9-10,12-13,15-17H,2-4,7-8,11H2,1H3,(H,23,24,27)/t16-,17-/m1/s1
InChIKeyGSZUJVRJULBZNB-IAGOWNOFSA-N
MW363.47 g/mol
LogP4.02
Rot. Bonds4

About cis-(1R,2S)-N-(1-cyclohexylbenzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

cis-(1R,2S)-N-(1-cyclohexylbenzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 95348568) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is cis-(1R,2S)-N-(1-cyclohexylbenzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-(1-cyclohexylbenzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID95348568
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Namecis-(1R,2S)-N-(1-cyclohexylbenzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCn1cc([C@H]2C[C@H]2C(=O)Nc2nc3ccccc3n2C2CCCCC2)cn1
InChIInChI=1S/C21H25N5O/c1-25-13-14(12-22-25)16-11-17(16)20(27)24-21-23-18-9-5-6-10-19(18)26(21)15-7-3-2-4-8-15/h5-6,9-10,12-13,15-17H,2-4,7-8,11H2,1H3,(H,23,24,27)/t16-,17-/m1/s1
InChIKeyGSZUJVRJULBZNB-IAGOWNOFSA-N
XLogP4.02
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyclopentylbenzimidazol-2-yl)-3-(1-methylpyrazol-4-yl)propanamide
CID 56794904
cis-(1S,2R)-N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 94103495
cis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95049896
trans-(1R,2R)-N-(2-cyclobutylpyrazol-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 136587817
N-(2-cyclopentyloxyphenyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 71935709
N-[2-[(1-cyclohexylbenzimidazol-2-yl)amino]-2-oxoethyl]propanamide
CID 47078417
(2R)-N-(1-cyclohexylbenzimidazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 96532756
N-[4-[(1-cyclopentylbenzimidazol-2-yl)amino]phenyl]-2-(dimethylamino)acetamide
CID 73051603
4-amino-N-(1-cyclohexylbenzimidazol-2-yl)pentanamide;hydrochloride
CID 120560614
N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]propyl]cyclohexanecarboxamide
CID 46106721
N-(2,6-dimethylcyclohexyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 71935713
cis-(1R,2S)-2-(1-methylpyrazol-4-yl)-N-(9H-xanthen-9-yl)cyclopropane-1-carboxamide
CID 95307560

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-(1-cyclohexylbenzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-(1-cyclohexylbenzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 95348568) is cis-(1R,2S)-N-(1-cyclohexylbenzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-(1-cyclohexylbenzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-(1-cyclohexylbenzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is Cn1cc([C@H]2C[C@H]2C(=O)Nc2nc3ccccc3n2C2CCCCC2)cn1.
What is the InChIKey of cis-(1R,2S)-N-(1-cyclohexylbenzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is GSZUJVRJULBZNB-IAGOWNOFSA-N. The full InChI is InChI=1S/C21H25N5O/c1-25-13-14(12-22-25)16-11-17(16)20(27)24-21-23-18-9-5-6-10-19(18)26(21)15-7-3-2-4-8-15/h5-6,9-10,12-13,15-17H,2-4,7-8,11H2,1H3,(H,23,24,27)/t16-,17-/m1/s1.
What are the key properties of cis-(1R,2S)-N-(1-cyclohexylbenzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
cis-(1R,2S)-N-(1-cyclohexylbenzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-(1-cyclohexylbenzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95348568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).