2-amino-5-chloro-N-propan-2-yl-1H-benzimidazole-4-carboxamide

C11H13ClN4O — CID 162483344

IUPAC2-amino-5-chloro-N-propan-2-yl-1H-benzimidazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(Cl)ccc2[nH]c(N)nc12
InChIInChI=1S/C11H13ClN4O/c1-5(2)14-10(17)8-6(12)3-4-7-9(8)16-11(13)15-7/h3-5H,1-2H3,(H,14,17)(H3,13,15,16)
InChIKeyPPJQBFFXSVCYBO-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.94
Rot. Bonds2

About 2-amino-5-chloro-N-propan-2-yl-1H-benzimidazole-4-carboxamide

2-amino-5-chloro-N-propan-2-yl-1H-benzimidazole-4-carboxamide (PubChem CID 162483344) has the molecular formula C11H13ClN4O and a molecular weight of 252.70 g/mol. Its IUPAC name is 2-amino-5-chloro-N-propan-2-yl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-propan-2-yl-1H-benzimidazole-4-carboxamide
PubChem CID162483344
Molecular FormulaC11H13ClN4O
Molecular Weight252.70 g/mol
Exact Mass252.08
IUPAC Name2-amino-5-chloro-N-propan-2-yl-1H-benzimidazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(Cl)ccc2[nH]c(N)nc12
InChIInChI=1S/C11H13ClN4O/c1-5(2)14-10(17)8-6(12)3-4-7-9(8)16-11(13)15-7/h3-5H,1-2H3,(H,14,17)(H3,13,15,16)
InChIKeyPPJQBFFXSVCYBO-UHFFFAOYSA-N
XLogP1.94
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-methyl-1H-benzimidazol-2-amine
CID 84618510
4,6-dichloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide
CID 162478968
2-amino-N-methyl-1H-benzimidazole-4-carboxamide
CID 166892984
methyl 2-(2-amino-1H-benzimidazol-4-yl)acetate
CID 131599439
2-amino-4-bromo-1H-benzimidazole-5-carbonyl chloride
CID 131092660
3-chloro-1-N-propan-2-ylbenzene-1,2-dicarboxamide
CID 142678332
7-bromo-2-(2,6-dichloroanilino)-N-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 58562378
4-chloro-1H-imidazo[4,5-c]pyridin-2-amine
CID 89405485
6-chloro-N-propan-2-ylpyridine-2-carboxamide
CID 24903389
2-amino-1H-benzimidazole-4-carboxamide
CID 10442222
1-(4-chlorophenyl)-5-methyl-N-propan-2-yl-1,2,4-triazole-3-carboxamide
CID 24539442
ethyl 2-[(2,6-dichlorobenzoyl)amino]propanoate
CID 54960145

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-propan-2-yl-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-amino-5-chloro-N-propan-2-yl-1H-benzimidazole-4-carboxamide (CID 162483344) is 2-amino-5-chloro-N-propan-2-yl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-amino-5-chloro-N-propan-2-yl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-amino-5-chloro-N-propan-2-yl-1H-benzimidazole-4-carboxamide is CC(C)NC(=O)c1c(Cl)ccc2[nH]c(N)nc12.
What is the InChIKey of 2-amino-5-chloro-N-propan-2-yl-1H-benzimidazole-4-carboxamide?
The InChIKey is PPJQBFFXSVCYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c1-5(2)14-10(17)8-6(12)3-4-7-9(8)16-11(13)15-7/h3-5H,1-2H3,(H,14,17)(H3,13,15,16).
What are the key properties of 2-amino-5-chloro-N-propan-2-yl-1H-benzimidazole-4-carboxamide?
2-amino-5-chloro-N-propan-2-yl-1H-benzimidazole-4-carboxamide has a molecular weight of 252.70 g/mol, XLogP of 1.94, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-propan-2-yl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 162483344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).