1-[4-chloro-2-(oxan-2-yl)-1H-benzimidazol-5-yl]-N-methylmethanamine

C14H18ClN3O — CID 123516619

IUPAC1-[4-chloro-2-(oxan-2-yl)-1H-benzimidazol-5-yl]-N-methylmethanamine
SMILESCNCc1ccc2[nH]c(C3CCCCO3)nc2c1Cl
InChIInChI=1S/C14H18ClN3O/c1-16-8-9-5-6-10-13(12(9)15)18-14(17-10)11-4-2-3-7-19-11/h5-6,11,16H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyADQIWPFLYQXECE-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.18
Rot. Bonds3

About 1-[4-chloro-2-(oxan-2-yl)-1H-benzimidazol-5-yl]-N-methylmethanamine

1-[4-chloro-2-(oxan-2-yl)-1H-benzimidazol-5-yl]-N-methylmethanamine (PubChem CID 123516619) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 1-[4-chloro-2-(oxan-2-yl)-1H-benzimidazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-chloro-2-(oxan-2-yl)-1H-benzimidazol-5-yl]-N-methylmethanamine
PubChem CID123516619
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name1-[4-chloro-2-(oxan-2-yl)-1H-benzimidazol-5-yl]-N-methylmethanamine
SMILESCNCc1ccc2[nH]c(C3CCCCO3)nc2c1Cl
InChIInChI=1S/C14H18ClN3O/c1-16-8-9-5-6-10-13(12(9)15)18-14(17-10)11-4-2-3-7-19-11/h5-6,11,16H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyADQIWPFLYQXECE-UHFFFAOYSA-N
XLogP3.18
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-chloro-2-(oxan-2-yl)-1H-benzimidazol-5-yl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-2-(oxan-2-yl)-1H-benzimidazole-5-carbonitrile
CID 123952783
[6-chloro-2-(oxan-2-yl)-1H-benzimidazol-4-yl]methanamine
CID 123795026
2-(oxan-2-yl)-1H-benzimidazol-4-amine
CID 63694577
6-bromo-4-methyl-2-(oxan-2-yl)-1H-benzimidazole
CID 104574556
6-chloro-1H-imidazo[4,5-c]pyridine-4-carbonitrile;6-chloro-2-(oxan-2-yl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 159402120
5,6-dimethoxy-2-(oxan-2-yl)-1H-benzimidazole
CID 62214074
7-methyl-2-(oxan-2-yl)-1H-imidazo[4,5-b]pyridine
CID 63722483
2-methyl-3-(methylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]propanamide
CID 119860398
6-fluoro-2-(oxan-2-yl)-1H-benzimidazole-5-carbonitrile
CID 123389336
N-methyl-1-[5-(oxan-2-yl)-1,3-oxazol-4-yl]methanamine
CID 79140312
N-methyl-1-[2-(oxan-2-yl)-1,3-oxazol-5-yl]methanamine
CID 115085883
2-(oxolan-2-yl)-3H-benzimidazole-5-carbonitrile
CID 79004157

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(oxan-2-yl)-1H-benzimidazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-chloro-2-(oxan-2-yl)-1H-benzimidazol-5-yl]-N-methylmethanamine (CID 123516619) is 1-[4-chloro-2-(oxan-2-yl)-1H-benzimidazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-chloro-2-(oxan-2-yl)-1H-benzimidazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-chloro-2-(oxan-2-yl)-1H-benzimidazol-5-yl]-N-methylmethanamine is CNCc1ccc2[nH]c(C3CCCCO3)nc2c1Cl.
What is the InChIKey of 1-[4-chloro-2-(oxan-2-yl)-1H-benzimidazol-5-yl]-N-methylmethanamine?
The InChIKey is ADQIWPFLYQXECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-16-8-9-5-6-10-13(12(9)15)18-14(17-10)11-4-2-3-7-19-11/h5-6,11,16H,2-4,7-8H2,1H3,(H,17,18).
What are the key properties of 1-[4-chloro-2-(oxan-2-yl)-1H-benzimidazol-5-yl]-N-methylmethanamine?
1-[4-chloro-2-(oxan-2-yl)-1H-benzimidazol-5-yl]-N-methylmethanamine has a molecular weight of 279.77 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(oxan-2-yl)-1H-benzimidazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 123516619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).