3-(6-chloro-1-ethylbenzimidazol-2-yl)-2-methylpropan-1-amine

C13H18ClN3 — CID 113316610

IUPAC3-(6-chloro-1-ethylbenzimidazol-2-yl)-2-methylpropan-1-amine
SMILESCCn1c(CC(C)CN)nc2ccc(Cl)cc21
InChIInChI=1S/C13H18ClN3/c1-3-17-12-7-10(14)4-5-11(12)16-13(17)6-9(2)8-15/h4-5,7,9H,3,6,8,15H2,1-2H3
InChIKeyOVMQXQDYUNVANY-UHFFFAOYSA-N
MW251.76 g/mol
LogP2.85
Rot. Bonds4

About 3-(6-chloro-1-ethylbenzimidazol-2-yl)-2-methylpropan-1-amine

3-(6-chloro-1-ethylbenzimidazol-2-yl)-2-methylpropan-1-amine (PubChem CID 113316610) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is 3-(6-chloro-1-ethylbenzimidazol-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(6-chloro-1-ethylbenzimidazol-2-yl)-2-methylpropan-1-amine
PubChem CID113316610
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC Name3-(6-chloro-1-ethylbenzimidazol-2-yl)-2-methylpropan-1-amine
SMILESCCn1c(CC(C)CN)nc2ccc(Cl)cc21
InChIInChI=1S/C13H18ClN3/c1-3-17-12-7-10(14)4-5-11(12)16-13(17)6-9(2)8-15/h4-5,7,9H,3,6,8,15H2,1-2H3
InChIKeyOVMQXQDYUNVANY-UHFFFAOYSA-N
XLogP2.85
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-chloro-1-ethylbenzimidazol-2-yl)-1-phenylethanamine
CID 115472609
2-[6-chloro-1-(2-methylpropyl)benzimidazol-2-yl]ethanamine
CID 46310938
1-(6-chloro-1-ethylbenzimidazol-2-yl)-N-methylmethanamine
CID 46310511
6-chloro-2-[(4-chlorophenyl)methyl]-1-ethylbenzimidazole
CID 46310462
6-chloro-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole
CID 115470827
6-chloro-2-(2-chloroethyl)-1-(2-methylbutyl)benzimidazole
CID 115471463
1-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-amine
CID 115472770
2-[(6-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]butan-1-amine
CID 115473141
3-(6-chloro-1-ethylbenzimidazol-2-yl)propanoic acid
CID 54772684
1-(5-chloro-1-ethylbenzimidazol-2-yl)-N-ethylpropan-2-amine
CID 62827617
(6-chloro-1-propan-2-ylbenzimidazol-2-yl)methanamine;dihydrochloride
CID 112758022
2-(6-chloro-1-ethylindol-2-yl)propan-1-amine
CID 117122802

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-1-ethylbenzimidazol-2-yl)-2-methylpropan-1-amine?
The IUPAC name of 3-(6-chloro-1-ethylbenzimidazol-2-yl)-2-methylpropan-1-amine (CID 113316610) is 3-(6-chloro-1-ethylbenzimidazol-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(6-chloro-1-ethylbenzimidazol-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(6-chloro-1-ethylbenzimidazol-2-yl)-2-methylpropan-1-amine is CCn1c(CC(C)CN)nc2ccc(Cl)cc21.
What is the InChIKey of 3-(6-chloro-1-ethylbenzimidazol-2-yl)-2-methylpropan-1-amine?
The InChIKey is OVMQXQDYUNVANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3/c1-3-17-12-7-10(14)4-5-11(12)16-13(17)6-9(2)8-15/h4-5,7,9H,3,6,8,15H2,1-2H3.
What are the key properties of 3-(6-chloro-1-ethylbenzimidazol-2-yl)-2-methylpropan-1-amine?
3-(6-chloro-1-ethylbenzimidazol-2-yl)-2-methylpropan-1-amine has a molecular weight of 251.76 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-1-ethylbenzimidazol-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 113316610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).