1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-N-methylethanamine

C13H16ClN3 — CID 113316669

IUPAC1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-N-methylethanamine
SMILESCNC(C)c1nc2ccc(Cl)cc2n1C1CC1
InChIInChI=1S/C13H16ClN3/c1-8(15-2)13-16-11-6-3-9(14)7-12(11)17(13)10-4-5-10/h3,6-8,10,15H,4-5H2,1-2H3
InChIKeyKTWQNTCMWFWPNL-UHFFFAOYSA-N
MW249.75 g/mol
LogP3.31
Rot. Bonds3

About 1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-N-methylethanamine

1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-N-methylethanamine (PubChem CID 113316669) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is 1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-N-methylethanamine
PubChem CID113316669
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC Name1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-N-methylethanamine
SMILESCNC(C)c1nc2ccc(Cl)cc2n1C1CC1
InChIInChI=1S/C13H16ClN3/c1-8(15-2)13-16-11-6-3-9(14)7-12(11)17(13)10-4-5-10/h3,6-8,10,15H,4-5H2,1-2H3
InChIKeyKTWQNTCMWFWPNL-UHFFFAOYSA-N
XLogP3.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-(1-chloroethyl)-1-cyclopropylbenzimidazole
CID 115470825
6-chloro-2-(1-chloroethyl)-1-cyclobutylbenzimidazole
CID 115471442
1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-methylbutan-1-amine
CID 115473211
2-amino-2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)ethanol
CID 113316662
3-amino-1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-ol
CID 114006759
(6-chloro-1-cyclopropylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine
CID 115473271
4-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-N-methylaniline
CID 104698563
6-chloro-2-(chloromethyl)-1-cyclopentylbenzimidazole
CID 115470830
2-[(6-chloro-1-cyclopropylbenzimidazol-2-yl)methyl]butan-1-amine
CID 115473342
2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine
CID 115473334
5-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylaniline
CID 115473239
6-chloro-2-(1-chloroethyl)-1-(dicyclopropylmethyl)benzimidazole
CID 115471255

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-N-methylethanamine?
The IUPAC name of 1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-N-methylethanamine (CID 113316669) is 1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-N-methylethanamine is CNC(C)c1nc2ccc(Cl)cc2n1C1CC1.
What is the InChIKey of 1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-N-methylethanamine?
The InChIKey is KTWQNTCMWFWPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-8(15-2)13-16-11-6-3-9(14)7-12(11)17(13)10-4-5-10/h3,6-8,10,15H,4-5H2,1-2H3.
What are the key properties of 1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-N-methylethanamine?
1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-N-methylethanamine has a molecular weight of 249.75 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-N-methylethanamine is sourced from PubChem (CID 113316669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).