N-(2-chloropropyl)-N-methyl-1H-benzimidazol-2-amine

C11H14ClN3 — CID 63392162

IUPACN-(2-chloropropyl)-N-methyl-1H-benzimidazol-2-amine
SMILESCC(Cl)CN(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C11H14ClN3/c1-8(12)7-15(2)11-13-9-5-3-4-6-10(9)14-11/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKeyXYNPSPUUYZHWGN-UHFFFAOYSA-N
MW223.71 g/mol
LogP2.63
Rot. Bonds3

About N-(2-chloropropyl)-N-methyl-1H-benzimidazol-2-amine

N-(2-chloropropyl)-N-methyl-1H-benzimidazol-2-amine (PubChem CID 63392162) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is N-(2-chloropropyl)-N-methyl-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(2-chloropropyl)-N-methyl-1H-benzimidazol-2-amine
PubChem CID63392162
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC NameN-(2-chloropropyl)-N-methyl-1H-benzimidazol-2-amine
SMILESCC(Cl)CN(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C11H14ClN3/c1-8(12)7-15(2)11-13-9-5-3-4-6-10(9)14-11/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKeyXYNPSPUUYZHWGN-UHFFFAOYSA-N
XLogP2.63
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[1H-benzimidazol-2-yl(methyl)amino]-3-methoxypropan-2-ol
CID 55125582
N-methyl-N-propan-2-yl-1H-benzimidazol-2-amine
CID 90287555
N,N-dimethyl-1H-benzimidazol-2-amine
CID 17846
N-butyl-N-methyl-1H-benzimidazol-2-amine
CID 71723451
N-(2-methoxyethyl)-N-methyl-1H-benzimidazol-2-amine
CID 133409792
5-[1H-benzimidazol-2-yl(methyl)amino]pentan-1-ol
CID 107203344
2-[1H-benzimidazol-2-yl(propan-2-yl)amino]ethanol
CID 60724199
N-cyclobutyl-N-methyl-1H-benzimidazol-2-amine
CID 115143834
N-(2-cyclopentylethyl)-N-methyl-1H-benzimidazol-2-amine
CID 115143924
N-methyl-N-(pyridin-3-ylmethyl)-1H-benzimidazol-2-amine
CID 115143872
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1H-benzimidazol-2-amine
CID 133410822
N-methyl-N-(piperidin-4-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride
CID 71642448

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropyl)-N-methyl-1H-benzimidazol-2-amine?
The IUPAC name of N-(2-chloropropyl)-N-methyl-1H-benzimidazol-2-amine (CID 63392162) is N-(2-chloropropyl)-N-methyl-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(2-chloropropyl)-N-methyl-1H-benzimidazol-2-amine?
The canonical SMILES for N-(2-chloropropyl)-N-methyl-1H-benzimidazol-2-amine is CC(Cl)CN(C)c1nc2ccccc2[nH]1.
What is the InChIKey of N-(2-chloropropyl)-N-methyl-1H-benzimidazol-2-amine?
The InChIKey is XYNPSPUUYZHWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3/c1-8(12)7-15(2)11-13-9-5-3-4-6-10(9)14-11/h3-6,8H,7H2,1-2H3,(H,13,14).
What are the key properties of N-(2-chloropropyl)-N-methyl-1H-benzimidazol-2-amine?
N-(2-chloropropyl)-N-methyl-1H-benzimidazol-2-amine has a molecular weight of 223.71 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)-N-methyl-1H-benzimidazol-2-amine is sourced from PubChem (CID 63392162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).