N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]pyridine-4-carboxamide

C19H13ClN4O — CID 5346054

IUPACN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccncc1
InChIInChI=1S/C19H13ClN4O/c20-15-6-5-13(22-19(25)12-7-9-21-10-8-12)11-14(15)18-23-16-3-1-2-4-17(16)24-18/h1-11H,(H,22,25)(H,23,24)
InChIKeyRXXQZMBRMGBEQC-UHFFFAOYSA-N
MW348.79 g/mol
LogP4.53
Rot. Bonds3

About N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]pyridine-4-carboxamide

N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]pyridine-4-carboxamide (PubChem CID 5346054) has the molecular formula C19H13ClN4O and a molecular weight of 348.79 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]pyridine-4-carboxamide
PubChem CID5346054
Molecular FormulaC19H13ClN4O
Molecular Weight348.79 g/mol
Exact Mass348.08
IUPAC NameN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccncc1
InChIInChI=1S/C19H13ClN4O/c20-15-6-5-13(22-19(25)12-7-9-21-10-8-12)11-14(15)18-23-16-3-1-2-4-17(16)24-18/h1-11H,(H,22,25)(H,23,24)
InChIKeyRXXQZMBRMGBEQC-UHFFFAOYSA-N
XLogP4.53
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-chloropyridine-4-carboxamide
CID 89391363
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3,5-bis(trifluoromethyl)benzamide
CID 89391347
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 110162739
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1,3-benzodioxole-5-carboxamide
CID 2208803
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3-methyl-4-[4-(trifluoromethyl)phenyl]benzamide
CID 90032214
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-cyanoacetamide
CID 168521087
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3-chloro-4-ethoxybenzamide
CID 1352608
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3,4-diethoxy-5-methylbenzamide
CID 59242140
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-iodofuran-2-carboxamide
CID 1361388
4-amino-N-[3-(1H-benzimidazol-2-yl)-4-hydroxyphenyl]benzamide
CID 1160309
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxy-2-methylbenzamide
CID 70967059
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 11502886

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]pyridine-4-carboxamide (CID 5346054) is N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]pyridine-4-carboxamide is O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccncc1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]pyridine-4-carboxamide?
The InChIKey is RXXQZMBRMGBEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O/c20-15-6-5-13(22-19(25)12-7-9-21-10-8-12)11-14(15)18-23-16-3-1-2-4-17(16)24-18/h1-11H,(H,22,25)(H,23,24).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]pyridine-4-carboxamide?
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]pyridine-4-carboxamide has a molecular weight of 348.79 g/mol, XLogP of 4.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]pyridine-4-carboxamide is sourced from PubChem (CID 5346054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).