2-[6-(diethylamino)-3-pyridinyl]-1-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzimidazole-5-carboxamide

C24H29N7O — CID 138466007

IUPAC2-[6-(diethylamino)-3-pyridinyl]-1-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzimidazole-5-carboxamide
SMILESCCN(CC)c1ccc(-c2nc3cc(C(=O)NC)ccc3n2Cc2ccn(CC)n2)cn1
InChIInChI=1S/C24H29N7O/c1-5-29(6-2)22-11-9-18(15-26-22)23-27-20-14-17(24(32)25-4)8-10-21(20)31(23)16-19-12-13-30(7-3)28-19/h8-15H,5-7,16H2,1-4H3,(H,25,32)
InChIKeyLYVJDLHFTGYNAV-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.57
Rot. Bonds8

About 2-[6-(diethylamino)-3-pyridinyl]-1-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzimidazole-5-carboxamide

2-[6-(diethylamino)-3-pyridinyl]-1-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzimidazole-5-carboxamide (PubChem CID 138466007) has the molecular formula C24H29N7O and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-[6-(diethylamino)-3-pyridinyl]-1-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[6-(diethylamino)-3-pyridinyl]-1-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzimidazole-5-carboxamide
PubChem CID138466007
Molecular FormulaC24H29N7O
Molecular Weight431.54 g/mol
Exact Mass431.24
IUPAC Name2-[6-(diethylamino)-3-pyridinyl]-1-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzimidazole-5-carboxamide
SMILESCCN(CC)c1ccc(-c2nc3cc(C(=O)NC)ccc3n2Cc2ccn(CC)n2)cn1
InChIInChI=1S/C24H29N7O/c1-5-29(6-2)22-11-9-18(15-26-22)23-27-20-14-17(24(32)25-4)8-10-21(20)31(23)16-19-12-13-30(7-3)28-19/h8-15H,5-7,16H2,1-4H3,(H,25,32)
InChIKeyLYVJDLHFTGYNAV-UHFFFAOYSA-N
XLogP3.57
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Dabigatran
CID 216210
Pf-05175157
CID 52934180
Pimitespib
CID 67501411
Dabigatran Ethyl Ester
CID 446804
[1-(3-Methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone
CID 3243760
2-fluoro-4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)-N-methylbenzamide
CID 11675054
N-[4-(1H-1,3-benzodiazol-1-yl)phenyl]-1-(3-carbamimidoylphenyl)-3-methyl-1H-pyrazole-5-carboxamide
CID 23644671
N~4~,N~4~,1-trimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide
CID 51033482
N-(4-(((3S)-3-(dimethylamino)pyrrolidin-1-yl)carbonyl)phenyl)-5-fluoro-4-(2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 16113377
N-(3-(1H-Benzimidazol-2-yl)-1H-pyrazol-4-yl)benzamide
CID 135566361
N-(3-(1H-imidazol-1-yl)propyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3113005
7-(2-(1H-Imidazol-1-yl)-5-methylimidazo(1,5-b)pyridazin-7-yl)-1-phenyl-1-heptanone
CID 189892

Frequently Asked Questions

What is the IUPAC name of 2-[6-(diethylamino)-3-pyridinyl]-1-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzimidazole-5-carboxamide?
The IUPAC name of 2-[6-(diethylamino)-3-pyridinyl]-1-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzimidazole-5-carboxamide (CID 138466007) is 2-[6-(diethylamino)-3-pyridinyl]-1-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for 2-[6-(diethylamino)-3-pyridinyl]-1-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzimidazole-5-carboxamide?
The canonical SMILES for 2-[6-(diethylamino)-3-pyridinyl]-1-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzimidazole-5-carboxamide is CCN(CC)c1ccc(-c2nc3cc(C(=O)NC)ccc3n2Cc2ccn(CC)n2)cn1.
What is the InChIKey of 2-[6-(diethylamino)-3-pyridinyl]-1-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzimidazole-5-carboxamide?
The InChIKey is LYVJDLHFTGYNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O/c1-5-29(6-2)22-11-9-18(15-26-22)23-27-20-14-17(24(32)25-4)8-10-21(20)31(23)16-19-12-13-30(7-3)28-19/h8-15H,5-7,16H2,1-4H3,(H,25,32).
What are the key properties of 2-[6-(diethylamino)-3-pyridinyl]-1-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzimidazole-5-carboxamide?
2-[6-(diethylamino)-3-pyridinyl]-1-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzimidazole-5-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(diethylamino)-3-pyridinyl]-1-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 138466007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).