N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]butan-2-amine

C15H22ClN3 — CID 115472928

IUPACN-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]butan-2-amine
SMILESCCCn1c(CNC(C)CC)nc2ccc(Cl)cc21
InChIInChI=1S/C15H22ClN3/c1-4-8-19-14-9-12(16)6-7-13(14)18-15(19)10-17-11(3)5-2/h6-7,9,11,17H,4-5,8,10H2,1-3H3
InChIKeyAGEGFUHGCFFUHH-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.99
Rot. Bonds6

About N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]butan-2-amine

N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]butan-2-amine (PubChem CID 115472928) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]butan-2-amine
PubChem CID115472928
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC NameN-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]butan-2-amine
SMILESCCCn1c(CNC(C)CC)nc2ccc(Cl)cc21
InChIInChI=1S/C15H22ClN3/c1-4-8-19-14-9-12(16)6-7-13(14)18-15(19)10-17-11(3)5-2/h6-7,9,11,17H,4-5,8,10H2,1-3H3
InChIKeyAGEGFUHGCFFUHH-UHFFFAOYSA-N
XLogP3.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine
CID 115472958
6-chloro-2-ethyl-1-propylbenzimidazole
CID 46310724
N-[(5-bromo-1-propylbenzimidazol-2-yl)methyl]butan-2-amine
CID 60835708
1-(6-chloro-1-propylbenzimidazol-2-yl)-N-methylpropan-1-amine
CID 113316618
1-(6-chloro-1-ethylbenzimidazol-2-yl)-N-methylmethanamine
CID 46310511
2-[6-chloro-2-[[1-(2-methoxyphenyl)ethylamino]methyl]benzimidazol-1-yl]ethanol
CID 4827219
5-chloro-2-ethyl-1-propylbenzimidazole
CID 46310723
6-chloro-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole
CID 115470827
6-chloro-2-(2-chloroethyl)-1-(3-methylbutyl)benzimidazole
CID 113316238
6-chloro-2-(2-chloroethyl)-1-(2-methylbutyl)benzimidazole
CID 115471463
N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-methylaniline
CID 115472577
3-amino-1-(6-chloro-1-propylbenzimidazol-2-yl)propan-1-ol
CID 107835456

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]butan-2-amine?
The IUPAC name of N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]butan-2-amine (CID 115472928) is N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]butan-2-amine.
What is the SMILES notation for N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]butan-2-amine?
The canonical SMILES for N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]butan-2-amine is CCCn1c(CNC(C)CC)nc2ccc(Cl)cc21.
What is the InChIKey of N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]butan-2-amine?
The InChIKey is AGEGFUHGCFFUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-4-8-19-14-9-12(16)6-7-13(14)18-15(19)10-17-11(3)5-2/h6-7,9,11,17H,4-5,8,10H2,1-3H3.
What are the key properties of N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]butan-2-amine?
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]butan-2-amine has a molecular weight of 279.81 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]butan-2-amine is sourced from PubChem (CID 115472928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).