(3S)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-3-(3-methylpyrazol-1-yl)butanamide

C17H21N5O — CID 92708257

IUPAC(3S)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-3-(3-methylpyrazol-1-yl)butanamide
SMILESCc1ccc2nc(CNC(=O)C[C@H](C)n3ccc(C)n3)[nH]c2c1
InChIInChI=1S/C17H21N5O/c1-11-4-5-14-15(8-11)20-16(19-14)10-18-17(23)9-13(3)22-7-6-12(2)21-22/h4-8,13H,9-10H2,1-3H3,(H,18,23)(H,19,20)/t13-/m0/s1
InChIKeyRHKXYBZIEMITOR-ZDUSSCGKSA-N
MW311.39 g/mol
LogP2.64
Rot. Bonds5

About (3S)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-3-(3-methylpyrazol-1-yl)butanamide

(3S)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-3-(3-methylpyrazol-1-yl)butanamide (PubChem CID 92708257) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is (3S)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-3-(3-methylpyrazol-1-yl)butanamide.

Molecular Properties

Compound Name(3S)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-3-(3-methylpyrazol-1-yl)butanamide
PubChem CID92708257
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name(3S)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-3-(3-methylpyrazol-1-yl)butanamide
SMILESCc1ccc2nc(CNC(=O)C[C@H](C)n3ccc(C)n3)[nH]c2c1
InChIInChI=1S/C17H21N5O/c1-11-4-5-14-15(8-11)20-16(19-14)10-18-17(23)9-13(3)22-7-6-12(2)21-22/h4-8,13H,9-10H2,1-3H3,(H,18,23)(H,19,20)/t13-/m0/s1
InChIKeyRHKXYBZIEMITOR-ZDUSSCGKSA-N
XLogP2.64
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide;hydrochloride
CID 119326371
4,4,4-trifluoro-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]butanamide
CID 91832737
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 924710
3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butanamide
CID 119885395
N-[(3-methoxyphenyl)methyl]-3-(3-methylpyrazol-1-yl)butanamide
CID 46339681
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-methyl-5-oxo-1-phenyl-1,2,4-triazol-4-yl)acetamide
CID 70779648
2-amino-3-methoxy-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]propanamide;hydrochloride
CID 120991479
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide
CID 121241058
2-[(6-methyl-1H-benzimidazol-2-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119185454
2-(4-chloro-2-methylphenoxy)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide
CID 30158519
(3R)-N-(3,4-dimethylphenyl)-3-(3-methylpyrazol-1-yl)butanamide
CID 92708194
(3R)-N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)butanamide
CID 92708178

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-3-(3-methylpyrazol-1-yl)butanamide?
The IUPAC name of (3S)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-3-(3-methylpyrazol-1-yl)butanamide (CID 92708257) is (3S)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-3-(3-methylpyrazol-1-yl)butanamide.
What is the SMILES notation for (3S)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-3-(3-methylpyrazol-1-yl)butanamide?
The canonical SMILES for (3S)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-3-(3-methylpyrazol-1-yl)butanamide is Cc1ccc2nc(CNC(=O)C[C@H](C)n3ccc(C)n3)[nH]c2c1.
What is the InChIKey of (3S)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-3-(3-methylpyrazol-1-yl)butanamide?
The InChIKey is RHKXYBZIEMITOR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N5O/c1-11-4-5-14-15(8-11)20-16(19-14)10-18-17(23)9-13(3)22-7-6-12(2)21-22/h4-8,13H,9-10H2,1-3H3,(H,18,23)(H,19,20)/t13-/m0/s1.
What are the key properties of (3S)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-3-(3-methylpyrazol-1-yl)butanamide?
(3S)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-3-(3-methylpyrazol-1-yl)butanamide has a molecular weight of 311.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-3-(3-methylpyrazol-1-yl)butanamide is sourced from PubChem (CID 92708257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).