6-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-2-methyl-3-(2-methylphenyl)hexan-3-amine

C27H39N5 — CID 71170017

IUPAC6-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-2-methyl-3-(2-methylphenyl)hexan-3-amine
SMILESCCn1c(N2CCN(CCCC(N)(c3ccccc3C)C(C)C)CC2)nc2ccccc21
InChIInChI=1S/C27H39N5/c1-5-32-25-14-9-8-13-24(25)29-26(32)31-19-17-30(18-20-31)16-10-15-27(28,21(2)3)23-12-7-6-11-22(23)4/h6-9,11-14,21H,5,10,15-20,28H2,1-4H3
InChIKeyBFTPTWABWMYONN-UHFFFAOYSA-N
MW433.64 g/mol
LogP4.78
Rot. Bonds8

About 6-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-2-methyl-3-(2-methylphenyl)hexan-3-amine

6-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-2-methyl-3-(2-methylphenyl)hexan-3-amine (PubChem CID 71170017) has the molecular formula C27H39N5 and a molecular weight of 433.64 g/mol. Its IUPAC name is 6-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-2-methyl-3-(2-methylphenyl)hexan-3-amine.

Molecular Properties

Compound Name6-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-2-methyl-3-(2-methylphenyl)hexan-3-amine
PubChem CID71170017
Molecular FormulaC27H39N5
Molecular Weight433.64 g/mol
Exact Mass433.32
IUPAC Name6-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-2-methyl-3-(2-methylphenyl)hexan-3-amine
SMILESCCn1c(N2CCN(CCCC(N)(c3ccccc3C)C(C)C)CC2)nc2ccccc21
InChIInChI=1S/C27H39N5/c1-5-32-25-14-9-8-13-24(25)29-26(32)31-19-17-30(18-20-31)16-10-15-27(28,21(2)3)23-12-7-6-11-22(23)4/h6-9,11-14,21H,5,10,15-20,28H2,1-4H3
InChIKeyBFTPTWABWMYONN-UHFFFAOYSA-N
XLogP4.78
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.64
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(2-methoxyphenyl)-5-[4-[1-(2-methylpropyl)benzimidazol-2-yl]piperazin-1-yl]-2-propan-2-ylpentanenitrile
CID 22393760
1-(3-methylbutyl)-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole
CID 90350029
2-(2-methoxyphenyl)-5-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-2-propan-2-ylpentanenitrile
CID 22393564
2-methyl-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]propan-2-amine
CID 82167730
6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methyl-3-phenylhexan-3-amine
CID 71170010
4-(1-ethylbenzimidazol-2-yl)-N-methylpiperazine-1-carbothioamide
CID 1462205
[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 3545151
1-(2-ethoxyethyl)-2-[4-(4-pyrazol-1-ylbutyl)-1,4-diazepan-1-yl]benzimidazole
CID 10476696
N-(3-ethoxypropyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carbothioamide
CID 3733941
N-(2-chlorophenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 44754338

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-2-methyl-3-(2-methylphenyl)hexan-3-amine?
The IUPAC name of 6-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-2-methyl-3-(2-methylphenyl)hexan-3-amine (CID 71170017) is 6-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-2-methyl-3-(2-methylphenyl)hexan-3-amine.
What is the SMILES notation for 6-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-2-methyl-3-(2-methylphenyl)hexan-3-amine?
The canonical SMILES for 6-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-2-methyl-3-(2-methylphenyl)hexan-3-amine is CCn1c(N2CCN(CCCC(N)(c3ccccc3C)C(C)C)CC2)nc2ccccc21.
What is the InChIKey of 6-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-2-methyl-3-(2-methylphenyl)hexan-3-amine?
The InChIKey is BFTPTWABWMYONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N5/c1-5-32-25-14-9-8-13-24(25)29-26(32)31-19-17-30(18-20-31)16-10-15-27(28,21(2)3)23-12-7-6-11-22(23)4/h6-9,11-14,21H,5,10,15-20,28H2,1-4H3.
What are the key properties of 6-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-2-methyl-3-(2-methylphenyl)hexan-3-amine?
6-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-2-methyl-3-(2-methylphenyl)hexan-3-amine has a molecular weight of 433.64 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-2-methyl-3-(2-methylphenyl)hexan-3-amine is sourced from PubChem (CID 71170017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).