1-cyclopropyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]benzimidazole-5-carboxamide

C21H27N5O — CID 92614300

IUPAC1-cyclopropyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]benzimidazole-5-carboxamide
SMILESCC[C@@H](NC(=O)c1ccc2c(c1)ncn2C1CC1)c1c(C)nn(CC)c1C
InChIInChI=1S/C21H27N5O/c1-5-17(20-13(3)24-26(6-2)14(20)4)23-21(27)15-7-10-19-18(11-15)22-12-25(19)16-8-9-16/h7,10-12,16-17H,5-6,8-9H2,1-4H3,(H,23,27)/t17-/m1/s1
InChIKeySZAVNETXVKGCFS-QGZVFWFLSA-N
MW365.48 g/mol
LogP4.09
Rot. Bonds6

About 1-cyclopropyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]benzimidazole-5-carboxamide

1-cyclopropyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]benzimidazole-5-carboxamide (PubChem CID 92614300) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]benzimidazole-5-carboxamide
PubChem CID92614300
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name1-cyclopropyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]benzimidazole-5-carboxamide
SMILESCC[C@@H](NC(=O)c1ccc2c(c1)ncn2C1CC1)c1c(C)nn(CC)c1C
InChIInChI=1S/C21H27N5O/c1-5-17(20-13(3)24-26(6-2)14(20)4)23-21(27)15-7-10-19-18(11-15)22-12-25(19)16-8-9-16/h7,10-12,16-17H,5-6,8-9H2,1-4H3,(H,23,27)/t17-/m1/s1
InChIKeySZAVNETXVKGCFS-QGZVFWFLSA-N
XLogP4.09
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-cyclopropyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]benzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bms-911543
CID 50922691
Pf-05175157
CID 52934180
N-[4-(1H-1,3-benzodiazol-1-yl)phenyl]-1-(3-carbamimidoylphenyl)-3-methyl-1H-pyrazole-5-carboxamide
CID 23644671
2-[6-(diethylamino)pyridin-3-yl]-1-[(1-ethyl-1H-pyrazol-3-yl)methyl]-N-methyl-1H-1,3-benzodiazole-5-carboxamide
CID 138466007
N-[4-(1H-1,3-benzodiazol-1-yl)phenyl]-1-(3-carbamimidoylphenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 23646188
1-(3-carbamimidoylphenyl)-N-{2-fluoro-4-[5-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]phenyl}-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 23646195
1-(3-carbamimidoylphenyl)-N-[2-fluoro-4-(5-methyl-1H-1,3-benzodiazol-1-yl)phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 23646196
N-[4-(1H-1,3-benzodiazol-1-yl)phenyl]-1-(3-carbamimidoylphenyl)-3-(1H-1,2,3-triazol-1-ylmethyl)-1H-pyrazole-5-carboxamide
CID 23646204
N-[4-(1H-1,3-benzodiazol-1-yl)phenyl]-1-(3-carbamimidoylphenyl)-3-(1H-1,2,3,4-tetrazol-1-ylmethyl)-1H-pyrazole-5-carboxamide
CID 23646205
N-[4-(1H-1,3-benzodiazol-1-yl)phenyl]-1-(3-carbamimidoylphenyl)-3-(pyridin-3-yl)-1H-pyrazole-5-carboxamide
CID 23646206
STING agonist 2
CID 132000066
(1-Tert-butylbenzimidazol-5-yl)-piperidin-1-ylmethanone
CID 71307836

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]benzimidazole-5-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]benzimidazole-5-carboxamide (CID 92614300) is 1-cyclopropyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]benzimidazole-5-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]benzimidazole-5-carboxamide is CC[C@@H](NC(=O)c1ccc2c(c1)ncn2C1CC1)c1c(C)nn(CC)c1C.
What is the InChIKey of 1-cyclopropyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]benzimidazole-5-carboxamide?
The InChIKey is SZAVNETXVKGCFS-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H27N5O/c1-5-17(20-13(3)24-26(6-2)14(20)4)23-21(27)15-7-10-19-18(11-15)22-12-25(19)16-8-9-16/h7,10-12,16-17H,5-6,8-9H2,1-4H3,(H,23,27)/t17-/m1/s1.
What are the key properties of 1-cyclopropyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]benzimidazole-5-carboxamide?
1-cyclopropyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]benzimidazole-5-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 92614300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).