6-chloro-N-(4-pyridin-3-yloxyphenyl)-1H-benzimidazole-2-carboxamide

C19H13ClN4O2 — CID 68706033

IUPAC6-chloro-N-(4-pyridin-3-yloxyphenyl)-1H-benzimidazole-2-carboxamide
SMILESO=C(Nc1ccc(Oc2cccnc2)cc1)c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C19H13ClN4O2/c20-12-3-8-16-17(10-12)24-18(23-16)19(25)22-13-4-6-14(7-5-13)26-15-2-1-9-21-11-15/h1-11H,(H,22,25)(H,23,24)
InChIKeyKMPRFDLKOJDKJJ-UHFFFAOYSA-N
MW364.79 g/mol
LogP4.66
Rot. Bonds4

About 6-chloro-N-(4-pyridin-3-yloxyphenyl)-1H-benzimidazole-2-carboxamide

6-chloro-N-(4-pyridin-3-yloxyphenyl)-1H-benzimidazole-2-carboxamide (PubChem CID 68706033) has the molecular formula C19H13ClN4O2 and a molecular weight of 364.79 g/mol. Its IUPAC name is 6-chloro-N-(4-pyridin-3-yloxyphenyl)-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(4-pyridin-3-yloxyphenyl)-1H-benzimidazole-2-carboxamide
PubChem CID68706033
Molecular FormulaC19H13ClN4O2
Molecular Weight364.79 g/mol
Exact Mass364.07
IUPAC Name6-chloro-N-(4-pyridin-3-yloxyphenyl)-1H-benzimidazole-2-carboxamide
SMILESO=C(Nc1ccc(Oc2cccnc2)cc1)c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C19H13ClN4O2/c20-12-3-8-16-17(10-12)24-18(23-16)19(25)22-13-4-6-14(7-5-13)26-15-2-1-9-21-11-15/h1-11H,(H,22,25)(H,23,24)
InChIKeyKMPRFDLKOJDKJJ-UHFFFAOYSA-N
XLogP4.66
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-pyridin-3-yloxyphenyl)-1H-benzimidazole-2-carboxamide
CID 58858401
2-[3-chloro-4-[4-[(6-chloro-1H-benzimidazole-2-carbonyl)amino]phenoxy]phenyl]acetic acid
CID 143840471
5-chloro-N-(3-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazole-2-carboxamide
CID 68706160
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(4-pyrazin-2-yloxyphenyl)acetamide
CID 86282814
3-chloro-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337765
6-chloro-N-(1,2-oxazol-3-yl)-1H-benzimidazole-2-carboxamide
CID 56859530
N-[3-[(4-phenoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55631172
6-nitro-N-[2-oxo-2-(4-phenoxyanilino)ethyl]-1H-benzimidazole-2-carboxamide
CID 118900386
3,4-dimethoxy-N-(4-pyridin-3-yloxyphenyl)benzamide
CID 90643074
(4-methoxyphenyl) N-(4-pyridin-3-yloxyphenyl)carbamate
CID 110188525
prop-2-enyl N-(4-pyridin-3-yloxyphenyl)carbamate
CID 110188366
ethyl 2-[3-chloro-4-[4-[(6-methoxy-1H-benzimidazole-2-carbonyl)amino]phenoxy]phenyl]acetate
CID 70984920

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-pyridin-3-yloxyphenyl)-1H-benzimidazole-2-carboxamide?
The IUPAC name of 6-chloro-N-(4-pyridin-3-yloxyphenyl)-1H-benzimidazole-2-carboxamide (CID 68706033) is 6-chloro-N-(4-pyridin-3-yloxyphenyl)-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(4-pyridin-3-yloxyphenyl)-1H-benzimidazole-2-carboxamide?
The canonical SMILES for 6-chloro-N-(4-pyridin-3-yloxyphenyl)-1H-benzimidazole-2-carboxamide is O=C(Nc1ccc(Oc2cccnc2)cc1)c1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-N-(4-pyridin-3-yloxyphenyl)-1H-benzimidazole-2-carboxamide?
The InChIKey is KMPRFDLKOJDKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O2/c20-12-3-8-16-17(10-12)24-18(23-16)19(25)22-13-4-6-14(7-5-13)26-15-2-1-9-21-11-15/h1-11H,(H,22,25)(H,23,24).
What are the key properties of 6-chloro-N-(4-pyridin-3-yloxyphenyl)-1H-benzimidazole-2-carboxamide?
6-chloro-N-(4-pyridin-3-yloxyphenyl)-1H-benzimidazole-2-carboxamide has a molecular weight of 364.79 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-pyridin-3-yloxyphenyl)-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 68706033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).