2-methyl-1-[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-amine;hydrochloride

C17H27ClN4 — CID 120851115

IUPAC2-methyl-1-[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-amine;hydrochloride
SMILESCc1nc2ccccc2n1CC1CCCN1CC(C)(C)N.Cl
InChIInChI=1S/C17H26N4.ClH/c1-13-19-15-8-4-5-9-16(15)21(13)11-14-7-6-10-20(14)12-17(2,3)18;/h4-5,8-9,14H,6-7,10-12,18H2,1-3H3;1H
InChIKeyCNVFZELXIYFEDI-UHFFFAOYSA-N
MW322.88 g/mol
LogP2.97
Rot. Bonds4

About 2-methyl-1-[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-amine;hydrochloride

2-methyl-1-[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-amine;hydrochloride (PubChem CID 120851115) has the molecular formula C17H27ClN4 and a molecular weight of 322.88 g/mol. Its IUPAC name is 2-methyl-1-[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-amine;hydrochloride.

Molecular Properties

Compound Name2-methyl-1-[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-amine;hydrochloride
PubChem CID120851115
Molecular FormulaC17H27ClN4
Molecular Weight322.88 g/mol
Exact Mass322.19
IUPAC Name2-methyl-1-[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-amine;hydrochloride
SMILESCc1nc2ccccc2n1CC1CCCN1CC(C)(C)N.Cl
InChIInChI=1S/C17H26N4.ClH/c1-13-19-15-8-4-5-9-16(15)21(13)11-14-7-6-10-20(14)12-17(2,3)18;/h4-5,8-9,14H,6-7,10-12,18H2,1-3H3;1H
InChIKeyCNVFZELXIYFEDI-UHFFFAOYSA-N
XLogP2.97
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(2-methylbenzimidazol-1-yl)propan-2-amine
CID 82144523
1-(cyclopentylmethyl)-2-methylbenzimidazole
CID 112728278
N-(4-aminocyclohexyl)-2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidine-1-carboxamide
CID 128823439
1-(2,2-dimethylpropyl)-2-methylbenzimidazole
CID 21060284
4-[[[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020961
2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-5-amine
CID 114137819
N-(3,4-dimethylphenyl)-2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidine-1-carboxamide
CID 71909294
1-[4-(1-ethylbenzimidazol-2-yl)piperidin-1-yl]-2-methylpropan-2-amine
CID 82167764
[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]-(1-phenylimidazol-4-yl)methanone
CID 138989777
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylbenzimidazole
CID 79343416
1-(3-bromo-2,2-dimethylpropyl)-2-methylbenzimidazole
CID 64994591
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 154796770

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-amine;hydrochloride?
The IUPAC name of 2-methyl-1-[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-amine;hydrochloride (CID 120851115) is 2-methyl-1-[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-amine;hydrochloride.
What is the SMILES notation for 2-methyl-1-[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-amine;hydrochloride?
The canonical SMILES for 2-methyl-1-[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-amine;hydrochloride is Cc1nc2ccccc2n1CC1CCCN1CC(C)(C)N.Cl.
What is the InChIKey of 2-methyl-1-[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-amine;hydrochloride?
The InChIKey is CNVFZELXIYFEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4.ClH/c1-13-19-15-8-4-5-9-16(15)21(13)11-14-7-6-10-20(14)12-17(2,3)18;/h4-5,8-9,14H,6-7,10-12,18H2,1-3H3;1H.
What are the key properties of 2-methyl-1-[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-amine;hydrochloride?
2-methyl-1-[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-amine;hydrochloride has a molecular weight of 322.88 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-amine;hydrochloride is sourced from PubChem (CID 120851115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).