N-methyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline;hydrochloride

C18H22ClN3 — CID 23724352

IUPACN-methyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline;hydrochloride
SMILESCC(C)n1c(CN(C)c2ccccc2)nc2ccccc21.Cl
InChIInChI=1S/C18H21N3.ClH/c1-14(2)21-17-12-8-7-11-16(17)19-18(21)13-20(3)15-9-5-4-6-10-15;/h4-12,14H,13H2,1-3H3;1H
InChIKeySWFJCLYIQRQMHV-UHFFFAOYSA-N
MW315.85 g/mol
LogP4.68
Rot. Bonds4

About N-methyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline;hydrochloride

N-methyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline;hydrochloride (PubChem CID 23724352) has the molecular formula C18H22ClN3 and a molecular weight of 315.85 g/mol. Its IUPAC name is N-methyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline;hydrochloride
PubChem CID23724352
Molecular FormulaC18H22ClN3
Molecular Weight315.85 g/mol
Exact Mass315.15
IUPAC NameN-methyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline;hydrochloride
SMILESCC(C)n1c(CN(C)c2ccccc2)nc2ccccc21.Cl
InChIInChI=1S/C18H21N3.ClH/c1-14(2)21-17-12-8-7-11-16(17)19-18(21)13-20(3)15-9-5-4-6-10-15;/h4-12,14H,13H2,1-3H3;1H
InChIKeySWFJCLYIQRQMHV-UHFFFAOYSA-N
XLogP4.68
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline;hydrochloride?
The IUPAC name of N-methyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline;hydrochloride (CID 23724352) is N-methyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline;hydrochloride.
What is the SMILES notation for N-methyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline;hydrochloride?
The canonical SMILES for N-methyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline;hydrochloride is CC(C)n1c(CN(C)c2ccccc2)nc2ccccc21.Cl.
What is the InChIKey of N-methyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline;hydrochloride?
The InChIKey is SWFJCLYIQRQMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3.ClH/c1-14(2)21-17-12-8-7-11-16(17)19-18(21)13-20(3)15-9-5-4-6-10-15;/h4-12,14H,13H2,1-3H3;1H.
What are the key properties of N-methyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline;hydrochloride?
N-methyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline;hydrochloride has a molecular weight of 315.85 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline;hydrochloride is sourced from PubChem (CID 23724352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).