N-tert-butyl-6-chloro-1H-benzimidazol-2-amine

C11H14ClN3 — CID 119086306

IUPACN-tert-butyl-6-chloro-1H-benzimidazol-2-amine
SMILESCC(C)(C)Nc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C11H14ClN3/c1-11(2,3)15-10-13-8-5-4-7(12)6-9(8)14-10/h4-6H,1-3H3,(H2,13,14,15)
InChIKeyGQTGZXOVFUHBDP-UHFFFAOYSA-N
MW223.71 g/mol
LogP3.43
Rot. Bonds1

About N-tert-butyl-6-chloro-1H-benzimidazol-2-amine

N-tert-butyl-6-chloro-1H-benzimidazol-2-amine (PubChem CID 119086306) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is N-tert-butyl-6-chloro-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-tert-butyl-6-chloro-1H-benzimidazol-2-amine
PubChem CID119086306
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC NameN-tert-butyl-6-chloro-1H-benzimidazol-2-amine
SMILESCC(C)(C)Nc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C11H14ClN3/c1-11(2,3)15-10-13-8-5-4-7(12)6-9(8)14-10/h4-6H,1-3H3,(H2,13,14,15)
InChIKeyGQTGZXOVFUHBDP-UHFFFAOYSA-N
XLogP3.43
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis(6-chloro-1H-benzimidazol-2-yl)benzene-1,4-diamine
CID 14688884
N-tert-butyl-1H-benzimidazol-2-amine
CID 54040021
6-chloro-N-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine
CID 82562708
6-chloro-N-(5-chloro-2-methylphenyl)-1H-benzimidazol-2-amine
CID 82562664
6-chloro-N-(3,5-dichlorophenyl)-1H-benzimidazol-2-amine;hydrochloride
CID 24970552
6-chloro-2-(1,1-difluoroethyl)-1H-benzimidazole
CID 130632057
6-chloro-N-[1-(4-methoxyphenyl)ethyl]-1H-benzimidazol-2-amine
CID 82562713
6-chloro-N-(2-phenylethyl)-1H-benzimidazol-2-amine
CID 45021337
3,7-dichloro-1H-quinoxalin-2-one
CID 131843116
6-chloro-N-(3-phenylpropyl)-1H-benzimidazol-2-amine
CID 82564399
6-chloro-N-[(2,4-difluorophenyl)methyl]-1H-benzimidazol-2-amine
CID 82564403
6-chloro-N-(thiophen-3-ylmethyl)-1H-benzimidazol-2-amine
CID 69311089

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-chloro-1H-benzimidazol-2-amine?
The IUPAC name of N-tert-butyl-6-chloro-1H-benzimidazol-2-amine (CID 119086306) is N-tert-butyl-6-chloro-1H-benzimidazol-2-amine.
What is the SMILES notation for N-tert-butyl-6-chloro-1H-benzimidazol-2-amine?
The canonical SMILES for N-tert-butyl-6-chloro-1H-benzimidazol-2-amine is CC(C)(C)Nc1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of N-tert-butyl-6-chloro-1H-benzimidazol-2-amine?
The InChIKey is GQTGZXOVFUHBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3/c1-11(2,3)15-10-13-8-5-4-7(12)6-9(8)14-10/h4-6H,1-3H3,(H2,13,14,15).
What are the key properties of N-tert-butyl-6-chloro-1H-benzimidazol-2-amine?
N-tert-butyl-6-chloro-1H-benzimidazol-2-amine has a molecular weight of 223.71 g/mol, XLogP of 3.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-chloro-1H-benzimidazol-2-amine is sourced from PubChem (CID 119086306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).