N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-chloro-4-(dimethylamino)benzamide

C19H17ClN6O — CID 155161115

IUPACN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-chloro-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)[nH]n2)c(Cl)c1
InChIInChI=1S/C19H17ClN6O/c1-26(2)11-7-8-12(13(20)9-11)19(27)23-17-10-16(24-25-17)18-21-14-5-3-4-6-15(14)22-18/h3-10H,1-2H3,(H,21,22)(H2,23,24,25,27)
InChIKeyNLCMXYWGFVTTKW-UHFFFAOYSA-N
MW380.84 g/mol
LogP3.92
Rot. Bonds4

About N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-chloro-4-(dimethylamino)benzamide

N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-chloro-4-(dimethylamino)benzamide (PubChem CID 155161115) has the molecular formula C19H17ClN6O and a molecular weight of 380.84 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-chloro-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-chloro-4-(dimethylamino)benzamide
PubChem CID155161115
Molecular FormulaC19H17ClN6O
Molecular Weight380.84 g/mol
Exact Mass380.12
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-chloro-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)[nH]n2)c(Cl)c1
InChIInChI=1S/C19H17ClN6O/c1-26(2)11-7-8-12(13(20)9-11)19(27)23-17-10-16(24-25-17)18-21-14-5-3-4-6-15(14)22-18/h3-10H,1-2H3,(H,21,22)(H2,23,24,25,27)
InChIKeyNLCMXYWGFVTTKW-UHFFFAOYSA-N
XLogP3.92
TPSA89.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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2,6-dichloro-N-[(2R)-2-(6-chloro-1H-benzimidazol-2-yl)-2-(3-fluorophenyl)ethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide
CID 121407246

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-chloro-4-(dimethylamino)benzamide?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-chloro-4-(dimethylamino)benzamide (CID 155161115) is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-chloro-4-(dimethylamino)benzamide.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-chloro-4-(dimethylamino)benzamide?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-chloro-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)[nH]n2)c(Cl)c1.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-chloro-4-(dimethylamino)benzamide?
The InChIKey is NLCMXYWGFVTTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6O/c1-26(2)11-7-8-12(13(20)9-11)19(27)23-17-10-16(24-25-17)18-21-14-5-3-4-6-15(14)22-18/h3-10H,1-2H3,(H,21,22)(H2,23,24,25,27).
What are the key properties of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-chloro-4-(dimethylamino)benzamide?
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-chloro-4-(dimethylamino)benzamide has a molecular weight of 380.84 g/mol, XLogP of 3.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-chloro-4-(dimethylamino)benzamide is sourced from PubChem (CID 155161115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).