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

C14H20ClN3 — CID 113316618

IUPAC1-(6-chloro-1-propylbenzimidazol-2-yl)-N-methylpropan-1-amine
SMILESCCCn1c(C(CC)NC)nc2ccc(Cl)cc21
InChIInChI=1S/C14H20ClN3/c1-4-8-18-13-9-10(15)6-7-12(13)17-14(18)11(5-2)16-3/h6-7,9,11,16H,4-5,8H2,1-3H3
InChIKeyHBFLKENIWLLIJQ-UHFFFAOYSA-N
MW265.79 g/mol
LogP3.77
Rot. Bonds5

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

1-(6-chloro-1-propylbenzimidazol-2-yl)-N-methylpropan-1-amine (PubChem CID 113316618) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 1-(6-chloro-1-propylbenzimidazol-2-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(6-chloro-1-propylbenzimidazol-2-yl)-N-methylpropan-1-amine
PubChem CID113316618
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name1-(6-chloro-1-propylbenzimidazol-2-yl)-N-methylpropan-1-amine
SMILESCCCn1c(C(CC)NC)nc2ccc(Cl)cc21
InChIInChI=1S/C14H20ClN3/c1-4-8-18-13-9-10(15)6-7-12(13)17-14(18)11(5-2)16-3/h6-7,9,11,16H,4-5,8H2,1-3H3
InChIKeyHBFLKENIWLLIJQ-UHFFFAOYSA-N
XLogP3.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(6-chloro-1-propylbenzimidazol-2-yl)propan-1-ol
CID 107835456
6-chloro-2-ethyl-1-propylbenzimidazole
CID 46310724
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]butan-2-amine
CID 115472928
2-butan-2-yl-5-chloro-1-propylbenzimidazole
CID 46310727
4-(6-chloro-1-propylbenzimidazol-2-yl)-N-methylaniline
CID 104698561
6-chloro-2-(1-chloroethyl)-1-(2-methylsulfanylethyl)benzimidazole
CID 115471567
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine
CID 115472958
2-[6-chloro-2-(1-phenylpropyl)benzimidazol-1-yl]ethanol
CID 46308191
6-chloro-1-(2-methoxyethyl)-2-propan-2-ylbenzimidazole
CID 46309104
6-chloro-2-(1-chloroethyl)-1-(2-ethoxyethyl)benzimidazole
CID 113316296
2-(6-chloro-1-propylbenzimidazol-2-yl)butan-2-amine
CID 115472892
6-chloro-2-(1-chloroethyl)-1-(2-pyrazol-1-ylethyl)benzimidazole
CID 115471181

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1-propylbenzimidazol-2-yl)-N-methylpropan-1-amine?
The IUPAC name of 1-(6-chloro-1-propylbenzimidazol-2-yl)-N-methylpropan-1-amine (CID 113316618) is 1-(6-chloro-1-propylbenzimidazol-2-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(6-chloro-1-propylbenzimidazol-2-yl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(6-chloro-1-propylbenzimidazol-2-yl)-N-methylpropan-1-amine is CCCn1c(C(CC)NC)nc2ccc(Cl)cc21.
What is the InChIKey of 1-(6-chloro-1-propylbenzimidazol-2-yl)-N-methylpropan-1-amine?
The InChIKey is HBFLKENIWLLIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-4-8-18-13-9-10(15)6-7-12(13)17-14(18)11(5-2)16-3/h6-7,9,11,16H,4-5,8H2,1-3H3.
What are the key properties of 1-(6-chloro-1-propylbenzimidazol-2-yl)-N-methylpropan-1-amine?
1-(6-chloro-1-propylbenzimidazol-2-yl)-N-methylpropan-1-amine has a molecular weight of 265.79 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1-propylbenzimidazol-2-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 113316618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).