N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide

C21H21N5O — CID 78806694

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NC(C)c3nc4ccccc4[nH]3)cc2)n1
InChIInChI=1S/C21H21N5O/c1-13-12-14(2)26(25-13)17-10-8-16(9-11-17)21(27)22-15(3)20-23-18-6-4-5-7-19(18)24-20/h4-12,15H,1-3H3,(H,22,27)(H,23,24)
InChIKeyVHMJTOVLQVUCMT-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.86
Rot. Bonds4

About N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide

N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide (PubChem CID 78806694) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
PubChem CID78806694
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NC(C)c3nc4ccccc4[nH]3)cc2)n1
InChIInChI=1S/C21H21N5O/c1-13-12-14(2)26(25-13)17-10-8-16(9-11-17)21(27)22-15(3)20-23-18-6-4-5-7-19(18)24-20/h4-12,15H,1-3H3,(H,22,27)(H,23,24)
InChIKeyVHMJTOVLQVUCMT-UHFFFAOYSA-N
XLogP3.86
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)ethyl]-4-imidazol-1-ylbenzamide
CID 134032924
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 920428
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 77082172
4-(aminomethyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 82546053
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methylsulfinylbenzamide
CID 78806018
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
CID 55862417
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 95233258
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 2156760
N-[1-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 55445770
4-(3,5-dimethylpyrazol-1-yl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 75401880
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-fluorobenzamide
CID 18116392

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide (CID 78806694) is N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide is Cc1cc(C)n(-c2ccc(C(=O)NC(C)c3nc4ccccc4[nH]3)cc2)n1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The InChIKey is VHMJTOVLQVUCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-13-12-14(2)26(25-13)17-10-8-16(9-11-17)21(27)22-15(3)20-23-18-6-4-5-7-19(18)24-20/h4-12,15H,1-3H3,(H,22,27)(H,23,24).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide has a molecular weight of 359.43 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide is sourced from PubChem (CID 78806694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).