2-(6-chloro-1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine

C13H18ClN3 — CID 115472729

IUPAC2-(6-chloro-1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine
SMILESCCn1c(C(C)(C)NC)nc2ccc(Cl)cc21
InChIInChI=1S/C13H18ClN3/c1-5-17-11-8-9(14)6-7-10(11)16-12(17)13(2,3)15-4/h6-8,15H,5H2,1-4H3
InChIKeyIUTOTAKHZOBKPG-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.16
Rot. Bonds3

About 2-(6-chloro-1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine

2-(6-chloro-1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine (PubChem CID 115472729) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is 2-(6-chloro-1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-(6-chloro-1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine
PubChem CID115472729
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC Name2-(6-chloro-1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine
SMILESCCn1c(C(C)(C)NC)nc2ccc(Cl)cc21
InChIInChI=1S/C13H18ClN3/c1-5-17-11-8-9(14)6-7-10(11)16-12(17)13(2,3)15-4/h6-8,15H,5H2,1-4H3
InChIKeyIUTOTAKHZOBKPG-UHFFFAOYSA-N
XLogP3.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-chloro-1-ethylbenzimidazol-2-yl)-N-methylmethanamine
CID 46310511
2-(7-chloro-1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine
CID 62819320
6-chloro-1-ethyl-2-[2-(4-nitrophenoxy)propan-2-yl]benzimidazole
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N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-methylaniline
CID 115472577
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CID 136968059
4-(6-chloro-1-propylbenzimidazol-2-yl)-N-methylaniline
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2-[1-(azetidin-3-yl)ethyl]-6-chloro-1-ethylbenzimidazole
CID 116682163
4-chloro-N-[1-(6-chloro-1-ethylbenzimidazol-2-yl)ethyl]benzenesulfonamide
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6-chloro-1-ethyl-2-pyrrolidin-3-ylbenzimidazole
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6-chloro-1-methyl-2-(trichloromethyl)benzimidazole
CID 131628985

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine?
The IUPAC name of 2-(6-chloro-1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine (CID 115472729) is 2-(6-chloro-1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 2-(6-chloro-1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine?
The canonical SMILES for 2-(6-chloro-1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine is CCn1c(C(C)(C)NC)nc2ccc(Cl)cc21.
What is the InChIKey of 2-(6-chloro-1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine?
The InChIKey is IUTOTAKHZOBKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3/c1-5-17-11-8-9(14)6-7-10(11)16-12(17)13(2,3)15-4/h6-8,15H,5H2,1-4H3.
What are the key properties of 2-(6-chloro-1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine?
2-(6-chloro-1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine has a molecular weight of 251.76 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 115472729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).