2-(4-chloro-1H-benzimidazol-2-yl)-N-methylpropan-2-amine

C11H14ClN3 — CID 62819140

IUPAC2-(4-chloro-1H-benzimidazol-2-yl)-N-methylpropan-2-amine
SMILESCNC(C)(C)c1nc2c(Cl)cccc2[nH]1
InChIInChI=1S/C11H14ClN3/c1-11(2,13-3)10-14-8-6-4-5-7(12)9(8)15-10/h4-6,13H,1-3H3,(H,14,15)
InChIKeyCLTPBXCPFCMHJU-UHFFFAOYSA-N
MW223.71 g/mol
LogP2.67
Rot. Bonds2

About 2-(4-chloro-1H-benzimidazol-2-yl)-N-methylpropan-2-amine

2-(4-chloro-1H-benzimidazol-2-yl)-N-methylpropan-2-amine (PubChem CID 62819140) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is 2-(4-chloro-1H-benzimidazol-2-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-(4-chloro-1H-benzimidazol-2-yl)-N-methylpropan-2-amine
PubChem CID62819140
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name2-(4-chloro-1H-benzimidazol-2-yl)-N-methylpropan-2-amine
SMILESCNC(C)(C)c1nc2c(Cl)cccc2[nH]1
InChIInChI=1S/C11H14ClN3/c1-11(2,13-3)10-14-8-6-4-5-7(12)9(8)15-10/h4-6,13H,1-3H3,(H,14,15)
InChIKeyCLTPBXCPFCMHJU-UHFFFAOYSA-N
XLogP2.67
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-1H-benzimidazol-2-yl)pentan-2-amine
CID 60787749
4-chloro-1H-benzimidazole-2-carboxamide
CID 175457980
4-chloro-2-ethoxy-1H-benzimidazole
CID 69014735
N-methyl-2-[2-(methylamino)propan-2-yl]-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821379
4-chloro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole
CID 60978005
3-(4-chloro-1H-benzimidazol-2-yl)benzene-1,2-diol
CID 136928259
(2S)-2-(4-chloro-1H-benzimidazol-2-yl)propan-1-amine
CID 94542564
4-chloro-2-[(4-fluorophenyl)methyl]-1H-benzimidazole
CID 60978001
4-chloro-2-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazole
CID 60978264
2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N-methylpropan-2-amine
CID 65484228
4-chloro-2-(pyridin-4-ylmethyl)-1H-benzimidazole
CID 60978006
2-(4-fluoro-1H-benzimidazol-2-yl)propan-2-ol
CID 64724359

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1H-benzimidazol-2-yl)-N-methylpropan-2-amine?
The IUPAC name of 2-(4-chloro-1H-benzimidazol-2-yl)-N-methylpropan-2-amine (CID 62819140) is 2-(4-chloro-1H-benzimidazol-2-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 2-(4-chloro-1H-benzimidazol-2-yl)-N-methylpropan-2-amine?
The canonical SMILES for 2-(4-chloro-1H-benzimidazol-2-yl)-N-methylpropan-2-amine is CNC(C)(C)c1nc2c(Cl)cccc2[nH]1.
What is the InChIKey of 2-(4-chloro-1H-benzimidazol-2-yl)-N-methylpropan-2-amine?
The InChIKey is CLTPBXCPFCMHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3/c1-11(2,13-3)10-14-8-6-4-5-7(12)9(8)15-10/h4-6,13H,1-3H3,(H,14,15).
What are the key properties of 2-(4-chloro-1H-benzimidazol-2-yl)-N-methylpropan-2-amine?
2-(4-chloro-1H-benzimidazol-2-yl)-N-methylpropan-2-amine has a molecular weight of 223.71 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1H-benzimidazol-2-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 62819140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).