2-amino-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

C15H17ClN6O — CID 86283902

IUPAC2-amino-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1C(N)C(=O)NCc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C15H17ClN6O/c1-7-13(8(2)22-21-7)14(17)15(23)18-6-12-19-10-4-3-9(16)5-11(10)20-12/h3-5,14H,6,17H2,1-2H3,(H,18,23)(H,19,20)(H,21,22)
InChIKeyBOWVMCGZCFXLKP-UHFFFAOYSA-N
MW332.80 g/mol
LogP1.87
Rot. Bonds4

About 2-amino-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

2-amino-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (PubChem CID 86283902) has the molecular formula C15H17ClN6O and a molecular weight of 332.80 g/mol. Its IUPAC name is 2-amino-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
PubChem CID86283902
Molecular FormulaC15H17ClN6O
Molecular Weight332.80 g/mol
Exact Mass332.12
IUPAC Name2-amino-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1C(N)C(=O)NCc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C15H17ClN6O/c1-7-13(8(2)22-21-7)14(17)15(23)18-6-12-19-10-4-3-9(16)5-11(10)20-12/h3-5,14H,6,17H2,1-2H3,(H,18,23)(H,19,20)(H,21,22)
InChIKeyBOWVMCGZCFXLKP-UHFFFAOYSA-N
XLogP1.87
TPSA112.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.80
LogP ≤ 51.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]acetamide
CID 91770336
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide
CID 136664878
2-amino-3-methoxy-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]propanamide;hydrochloride
CID 120991479
2-amino-N-[1-(3-chloroanilino)-2-methylpropan-2-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 70761719
(2S)-2-amino-N-(1H-benzimidazol-2-ylmethyl)-3-(2,4-dichlorophenyl)propanamide
CID 130448110
2-amino-N-(1H-benzimidazol-2-ylmethyl)-3-(2,4-dichlorophenyl)propanamide
CID 118878691
2-(4-chloro-2-methylphenoxy)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide
CID 30158519
N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 78991690
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 118788473
[4-[(6-chloro-1H-benzimidazol-2-yl)methylcarbamoyl]cyclohexyl]carbamic acid
CID 155256233
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide
CID 72902119
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-methoxy-2-phenylacetamide
CID 77092358

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-amino-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (CID 86283902) is 2-amino-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is Cc1n[nH]c(C)c1C(N)C(=O)NCc1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 2-amino-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The InChIKey is BOWVMCGZCFXLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN6O/c1-7-13(8(2)22-21-7)14(17)15(23)18-6-12-19-10-4-3-9(16)5-11(10)20-12/h3-5,14H,6,17H2,1-2H3,(H,18,23)(H,19,20)(H,21,22).
What are the key properties of 2-amino-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
2-amino-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide has a molecular weight of 332.80 g/mol, XLogP of 1.87, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 86283902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).