N-[1-amino-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide

C22H17Cl2N5O2 — CID 18685953

IUPACN-[1-amino-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
SMILESNC(=O)C(Cc1ccc(Cl)c(Cl)c1)NC(=O)c1ccc2nc(-c3ccncc3)[nH]c2c1
InChIInChI=1S/C22H17Cl2N5O2/c23-15-3-1-12(9-16(15)24)10-19(20(25)30)29-22(31)14-2-4-17-18(11-14)28-21(27-17)13-5-7-26-8-6-13/h1-9,11,19H,10H2,(H2,25,30)(H,27,28)(H,29,31)
InChIKeyVAWOZZXFUCUDNN-UHFFFAOYSA-N
MW454.32 g/mol
LogP3.76
Rot. Bonds6

About N-[1-amino-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide

N-[1-amino-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide (PubChem CID 18685953) has the molecular formula C22H17Cl2N5O2 and a molecular weight of 454.32 g/mol. Its IUPAC name is N-[1-amino-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-amino-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
PubChem CID18685953
Molecular FormulaC22H17Cl2N5O2
Molecular Weight454.32 g/mol
Exact Mass453.08
IUPAC NameN-[1-amino-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
SMILESNC(=O)C(Cc1ccc(Cl)c(Cl)c1)NC(=O)c1ccc2nc(-c3ccncc3)[nH]c2c1
InChIInChI=1S/C22H17Cl2N5O2/c23-15-3-1-12(9-16(15)24)10-19(20(25)30)29-22(31)14-2-4-17-18(11-14)28-21(27-17)13-5-7-26-8-6-13/h1-9,11,19H,10H2,(H2,25,30)(H,27,28)(H,29,31)
InChIKeyVAWOZZXFUCUDNN-UHFFFAOYSA-N
XLogP3.76
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.32
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-amino-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 18685990
N-[1-amino-4-(4-hydroxyphenyl)-1-oxobutan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 18685998
N-[(2S)-1-amino-1-oxo-4-phenylbutan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 59879984
N-[(2S)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 59880041
N-[1-amino-3-(1-benzothiophen-3-yl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 18686024
N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 18685984
methyl 3-(benzenesulfinyl)-2-[(2-pyridin-4-yl-3H-benzimidazole-5-carbonyl)amino]propanoate
CID 18685918
2-[(2-pyridin-4-yl-3H-benzimidazole-5-carbonyl)amino]-3-(3,4,5-trimethoxyphenyl)propanoic acid
CID 18685870
methyl 2-[(2-pyridin-4-yl-3H-benzimidazole-5-carbonyl)amino]-3-pyrimidin-2-ylsulfanylpropanoate
CID 18685915
methane;(2S)-2-[(2-pyridin-4-yl-3H-benzimidazole-5-carbonyl)amino]-3-(3,4,5-trimethoxyphenyl)propanoic acid
CID 159311933
N-[1-amino-3-(4-fluorophenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide
CID 18685970
N-[(2S)-1-morpholin-4-yl-1-oxo-4-phenylbutan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 59880086

Frequently Asked Questions

What is the IUPAC name of N-[1-amino-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[1-amino-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide (CID 18685953) is N-[1-amino-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[1-amino-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[1-amino-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide is NC(=O)C(Cc1ccc(Cl)c(Cl)c1)NC(=O)c1ccc2nc(-c3ccncc3)[nH]c2c1.
What is the InChIKey of N-[1-amino-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide?
The InChIKey is VAWOZZXFUCUDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N5O2/c23-15-3-1-12(9-16(15)24)10-19(20(25)30)29-22(31)14-2-4-17-18(11-14)28-21(27-17)13-5-7-26-8-6-13/h1-9,11,19H,10H2,(H2,25,30)(H,27,28)(H,29,31).
What are the key properties of N-[1-amino-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide?
N-[1-amino-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide has a molecular weight of 454.32 g/mol, XLogP of 3.76, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-amino-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 18685953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).