N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-1H-benzimidazole-2-carboxamide

C21H21N5O — CID 119061752

IUPACN-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-1H-benzimidazole-2-carboxamide
SMILESCc1nccn1CCC(NC(=O)c1nc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C21H21N5O/c1-15-22-12-14-26(15)13-11-17(16-7-3-2-4-8-16)25-21(27)20-23-18-9-5-6-10-19(18)24-20/h2-10,12,14,17H,11,13H2,1H3,(H,23,24)(H,25,27)
InChIKeyCUDIKWJEXCWGOU-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.63
Rot. Bonds6

About N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-1H-benzimidazole-2-carboxamide

N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-1H-benzimidazole-2-carboxamide (PubChem CID 119061752) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-1H-benzimidazole-2-carboxamide
PubChem CID119061752
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC NameN-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-1H-benzimidazole-2-carboxamide
SMILESCc1nccn1CCC(NC(=O)c1nc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C21H21N5O/c1-15-22-12-14-26(15)13-11-17(16-7-3-2-4-8-16)25-21(27)20-23-18-9-5-6-10-19(18)24-20/h2-10,12,14,17H,11,13H2,1H3,(H,23,24)(H,25,27)
InChIKeyCUDIKWJEXCWGOU-UHFFFAOYSA-N
XLogP3.63
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 77095447
1-methyl-N-[(1S)-3-(2-methylimidazol-1-yl)-1-phenylpropyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 96572217
N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
CID 77088444
formic acid;N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-2-pyrazol-1-ylacetamide
CID 154910019
N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 91796873
2-(4-methyl-1,4-diazepan-1-yl)-N-[(1S)-3-(2-methylimidazol-1-yl)-1-phenylpropyl]acetamide
CID 125160415
1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[(1S)-3-(2-methylimidazol-1-yl)-1-phenylpropyl]urea
CID 97434130
1-[3-(2-methylimidazol-1-yl)propyl]-3-[(1S)-2-methylsulfanyl-1-phenylethyl]urea
CID 97317498
6-methyl-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1H-benzimidazole-2-carboxamide
CID 95554120
N-hydroxy-1H-benzimidazole-2-carboxamide
CID 21114230
N-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide
CID 12620222
1-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one
CID 72847798

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-1H-benzimidazole-2-carboxamide?
The IUPAC name of N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-1H-benzimidazole-2-carboxamide (CID 119061752) is N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-1H-benzimidazole-2-carboxamide?
The canonical SMILES for N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-1H-benzimidazole-2-carboxamide is Cc1nccn1CCC(NC(=O)c1nc2ccccc2[nH]1)c1ccccc1.
What is the InChIKey of N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-1H-benzimidazole-2-carboxamide?
The InChIKey is CUDIKWJEXCWGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-15-22-12-14-26(15)13-11-17(16-7-3-2-4-8-16)25-21(27)20-23-18-9-5-6-10-19(18)24-20/h2-10,12,14,17H,11,13H2,1H3,(H,23,24)(H,25,27).
What are the key properties of N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-1H-benzimidazole-2-carboxamide?
N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-1H-benzimidazole-2-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 119061752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).