2-methyl-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]propan-2-amine

C16H25N5 — CID 82167730

IUPAC2-methyl-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]propan-2-amine
SMILESCn1c(N2CCN(CC(C)(C)N)CC2)nc2ccccc21
InChIInChI=1S/C16H25N5/c1-16(2,17)12-20-8-10-21(11-9-20)15-18-13-6-4-5-7-14(13)19(15)3/h4-7H,8-12,17H2,1-3H3
InChIKeyOSAHETGATGQPNI-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.43
Rot. Bonds3

About 2-methyl-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]propan-2-amine

2-methyl-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]propan-2-amine (PubChem CID 82167730) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-methyl-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]propan-2-amine
PubChem CID82167730
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name2-methyl-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]propan-2-amine
SMILESCn1c(N2CCN(CC(C)(C)N)CC2)nc2ccccc21
InChIInChI=1S/C16H25N5/c1-16(2,17)12-20-8-10-21(11-9-20)15-18-13-6-4-5-7-14(13)19(15)3/h4-7H,8-12,17H2,1-3H3
InChIKeyOSAHETGATGQPNI-UHFFFAOYSA-N
XLogP1.43
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(1-ethylbenzimidazol-2-yl)piperidin-1-yl]-2-methylpropan-2-amine
CID 82167764
2-(1,4-diazepan-1-yl)-1-methylbenzimidazole
CID 22636344
3-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]propan-1-amine
CID 82167740
5-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-2-(2-methylphenyl)-2-propan-2-ylpentanenitrile
CID 22393823
2-methyl-1-(2-methylbenzimidazol-1-yl)propan-2-amine
CID 82144523
1-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]benzimidazole-5-carboxylic acid
CID 134705630
1-methyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]benzimidazole
CID 126893862
6-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-2-methyl-3-(2-methylphenyl)hexan-3-amine
CID 71170017
N-benzyl-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 651770
2-[3-(difluoromethyl)azetidin-1-yl]-1-methylbenzimidazole
CID 122270125
cyclopropyl-[4-(1-methylbenzimidazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 165435392
2-(2-methoxyphenyl)-5-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-2-propan-2-ylpentanenitrile
CID 22393564

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]propan-2-amine?
The IUPAC name of 2-methyl-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]propan-2-amine (CID 82167730) is 2-methyl-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]propan-2-amine.
What is the SMILES notation for 2-methyl-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]propan-2-amine?
The canonical SMILES for 2-methyl-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]propan-2-amine is Cn1c(N2CCN(CC(C)(C)N)CC2)nc2ccccc21.
What is the InChIKey of 2-methyl-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]propan-2-amine?
The InChIKey is OSAHETGATGQPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-16(2,17)12-20-8-10-21(11-9-20)15-18-13-6-4-5-7-14(13)19(15)3/h4-7H,8-12,17H2,1-3H3.
What are the key properties of 2-methyl-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]propan-2-amine?
2-methyl-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]propan-2-amine has a molecular weight of 287.41 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]propan-2-amine is sourced from PubChem (CID 82167730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).