N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloropyridine-4-carboxamide

C15H13ClN4O — CID 103607169

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloropyridine-4-carboxamide
SMILESO=C(NCCc1nc2ccccc2[nH]1)c1ccnc(Cl)c1
InChIInChI=1S/C15H13ClN4O/c16-13-9-10(5-7-17-13)15(21)18-8-6-14-19-11-3-1-2-4-12(11)20-14/h1-5,7,9H,6,8H2,(H,18,21)(H,19,20)
InChIKeyXHMMJJRWVISJRR-UHFFFAOYSA-N
MW300.75 g/mol
LogP2.58
Rot. Bonds4

About N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloropyridine-4-carboxamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloropyridine-4-carboxamide (PubChem CID 103607169) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloropyridine-4-carboxamide
PubChem CID103607169
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloropyridine-4-carboxamide
SMILESO=C(NCCc1nc2ccccc2[nH]1)c1ccnc(Cl)c1
InChIInChI=1S/C15H13ClN4O/c16-13-9-10(5-7-17-13)15(21)18-8-6-14-19-11-3-1-2-4-12(11)20-14/h1-5,7,9H,6,8H2,(H,18,21)(H,19,20)
InChIKeyXHMMJJRWVISJRR-UHFFFAOYSA-N
XLogP2.58
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 110462612
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 21008897
N-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 30209564
N-[2-(1H-benzimidazol-2-yl)ethyl]quinoline-4-carboxamide
CID 59018404
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-nitrobenzamide
CID 719296
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-propoxybenzamide
CID 21008909
N-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutyl]benzamide
CID 32757779
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 110204460
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-butoxybenzamide
CID 4917285
3-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-propoxybenzamide
CID 110499895
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxobutanamide
CID 110460612
4-(acetamidomethyl)-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 17394585

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloropyridine-4-carboxamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloropyridine-4-carboxamide (CID 103607169) is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloropyridine-4-carboxamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloropyridine-4-carboxamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloropyridine-4-carboxamide is O=C(NCCc1nc2ccccc2[nH]1)c1ccnc(Cl)c1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloropyridine-4-carboxamide?
The InChIKey is XHMMJJRWVISJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c16-13-9-10(5-7-17-13)15(21)18-8-6-14-19-11-3-1-2-4-12(11)20-14/h1-5,7,9H,6,8H2,(H,18,21)(H,19,20).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloropyridine-4-carboxamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloropyridine-4-carboxamide has a molecular weight of 300.75 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloropyridine-4-carboxamide is sourced from PubChem (CID 103607169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).