4,6-dichloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide

C11H11Cl2N3O — CID 162478968

IUPAC4,6-dichloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide
SMILESCC(C)NC(=O)c1nc2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C11H11Cl2N3O/c1-5(2)14-11(17)10-15-8-4-6(12)3-7(13)9(8)16-10/h3-5H,1-2H3,(H,14,17)(H,15,16)
InChIKeyVETRMBFHPQQNIW-UHFFFAOYSA-N
MW272.13 g/mol
LogP3.01
Rot. Bonds2

About 4,6-dichloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide

4,6-dichloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide (PubChem CID 162478968) has the molecular formula C11H11Cl2N3O and a molecular weight of 272.13 g/mol. Its IUPAC name is 4,6-dichloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound Name4,6-dichloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide
PubChem CID162478968
Molecular FormulaC11H11Cl2N3O
Molecular Weight272.13 g/mol
Exact Mass271.03
IUPAC Name4,6-dichloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide
SMILESCC(C)NC(=O)c1nc2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C11H11Cl2N3O/c1-5(2)14-11(17)10-15-8-4-6(12)3-7(13)9(8)16-10/h3-5H,1-2H3,(H,14,17)(H,15,16)
InChIKeyVETRMBFHPQQNIW-UHFFFAOYSA-N
XLogP3.01
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6,8-dichloro-N-methylsulfonyl-3-oxo-4H-quinoxaline-2-carboxamide
CID 67910286
N-[(E,2S)-5-(6-amino-5-chloro-3-pyridinyl)pent-4-en-2-yl]-4-chloro-1H-benzimidazole-2-carboxamide
CID 178023812
2-[(4,6-dichloro-1H-benzimidazol-2-yl)sulfanyl]-N-[1-(furan-2-yl)ethyl]acetamide
CID 42894046
2-amino-5-chloro-N-propan-2-yl-1H-benzimidazole-4-carboxamide
CID 162483344
7-bromo-2-(2,6-dichloroanilino)-N-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 58562378
3-[(3-chlorophenyl)methyl]-7-oxo-N-propan-2-yl-6H-triazolo[4,5-d]pyrimidine-5-carboxamide
CID 135459629
3-(4-chlorophenyl)-4-(4,6-dichloro-1H-benzimidazol-2-yl)butanoic acid;hydrochloride
CID 45381090
N-propan-2-yl-2-(2,4,6-trichlorophenoxy)acetamide;hydrate
CID 131860957
5-bromo-3-chloro-N-propan-2-ylpyridine-2-carboxamide
CID 155923574
5-oxo-N-propan-2-yl-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136831978
4,6-dichloro-2-[4-(3,5-dichlorophenyl)-2-methylbutyl]-1H-benzimidazole
CID 161460001
2,4-dichloro-6-hydroxy-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 96525639

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide?
The IUPAC name of 4,6-dichloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide (CID 162478968) is 4,6-dichloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for 4,6-dichloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide?
The canonical SMILES for 4,6-dichloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide is CC(C)NC(=O)c1nc2c(Cl)cc(Cl)cc2[nH]1.
What is the InChIKey of 4,6-dichloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide?
The InChIKey is VETRMBFHPQQNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O/c1-5(2)14-11(17)10-15-8-4-6(12)3-7(13)9(8)16-10/h3-5H,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 4,6-dichloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide?
4,6-dichloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide has a molecular weight of 272.13 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 162478968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).