2-[(6-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]butan-1-amine

C15H22ClN3 — CID 115473141

IUPAC2-[(6-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]butan-1-amine
SMILESCCC(CN)Cc1nc2ccc(Cl)cc2n1C(C)C
InChIInChI=1S/C15H22ClN3/c1-4-11(9-17)7-15-18-13-6-5-12(16)8-14(13)19(15)10(2)3/h5-6,8,10-11H,4,7,9,17H2,1-3H3
InChIKeyZKTCUGBXXNYSFQ-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.80
Rot. Bonds5

About 2-[(6-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]butan-1-amine

2-[(6-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]butan-1-amine (PubChem CID 115473141) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 2-[(6-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-[(6-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]butan-1-amine
PubChem CID115473141
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name2-[(6-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]butan-1-amine
SMILESCCC(CN)Cc1nc2ccc(Cl)cc2n1C(C)C
InChIInChI=1S/C15H22ClN3/c1-4-11(9-17)7-15-18-13-6-5-12(16)8-14(13)19(15)10(2)3/h5-6,8,10-11H,4,7,9,17H2,1-3H3
InChIKeyZKTCUGBXXNYSFQ-UHFFFAOYSA-N
XLogP3.80
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]butan-1-amine
CID 81073466
(6-chloro-1-propan-2-ylbenzimidazol-2-yl)methanamine;dihydrochloride
CID 112758022
2-[(6-chloro-1-cyclopropylbenzimidazol-2-yl)methyl]butan-1-amine
CID 115473342
6-chloro-2-(chloromethyl)-1-(3-ethylpentan-2-yl)benzimidazole
CID 113316375
6-chloro-2-(chloromethyl)-1-(3-methylpentan-2-yl)benzimidazole
CID 115471186
4-[(6-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]aniline
CID 115473043
3-(6-chloro-1-ethylbenzimidazol-2-yl)-2-methylpropan-1-amine
CID 113316610
2-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]butan-1-amine
CID 81073284
2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 46310662
1-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 46310660
2-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-4,4-dimethylpentan-1-amine
CID 107473079
6-chloro-2-[(3-methylphenoxy)methyl]-1-propan-2-ylbenzimidazole
CID 46310633

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]butan-1-amine?
The IUPAC name of 2-[(6-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]butan-1-amine (CID 115473141) is 2-[(6-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]butan-1-amine.
What is the SMILES notation for 2-[(6-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]butan-1-amine?
The canonical SMILES for 2-[(6-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]butan-1-amine is CCC(CN)Cc1nc2ccc(Cl)cc2n1C(C)C.
What is the InChIKey of 2-[(6-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]butan-1-amine?
The InChIKey is ZKTCUGBXXNYSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-4-11(9-17)7-15-18-13-6-5-12(16)8-14(13)19(15)10(2)3/h5-6,8,10-11H,4,7,9,17H2,1-3H3.
What are the key properties of 2-[(6-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]butan-1-amine?
2-[(6-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]butan-1-amine has a molecular weight of 279.81 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]butan-1-amine is sourced from PubChem (CID 115473141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).