1-methyl-2-[(3S)-3-propan-2-ylpiperazin-1-yl]benzimidazole

C15H22N4 — CID 129391666

IUPAC1-methyl-2-[(3S)-3-propan-2-ylpiperazin-1-yl]benzimidazole
SMILESCC(C)[C@H]1CN(c2nc3ccccc3n2C)CCN1
InChIInChI=1S/C15H22N4/c1-11(2)13-10-19(9-8-16-13)15-17-12-6-4-5-7-14(12)18(15)3/h4-7,11,13,16H,8-10H2,1-3H3/t13-/m1/s1
InChIKeyFEHDTTCYIVNZHK-CYBMUJFWSA-N
MW258.37 g/mol
LogP2.01
Rot. Bonds2

About 1-methyl-2-[(3S)-3-propan-2-ylpiperazin-1-yl]benzimidazole

1-methyl-2-[(3S)-3-propan-2-ylpiperazin-1-yl]benzimidazole (PubChem CID 129391666) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-methyl-2-[(3S)-3-propan-2-ylpiperazin-1-yl]benzimidazole.

Molecular Properties

Compound Name1-methyl-2-[(3S)-3-propan-2-ylpiperazin-1-yl]benzimidazole
PubChem CID129391666
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name1-methyl-2-[(3S)-3-propan-2-ylpiperazin-1-yl]benzimidazole
SMILESCC(C)[C@H]1CN(c2nc3ccccc3n2C)CCN1
InChIInChI=1S/C15H22N4/c1-11(2)13-10-19(9-8-16-13)15-17-12-6-4-5-7-14(12)18(15)3/h4-7,11,13,16H,8-10H2,1-3H3/t13-/m1/s1
InChIKeyFEHDTTCYIVNZHK-CYBMUJFWSA-N
XLogP2.01
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-diazepan-1-yl)-1-methylbenzimidazole
CID 22636344
2-(3,3-dimethylpiperazin-1-yl)-1-methylbenzimidazole
CID 82993712
2-[3-(difluoromethyl)azetidin-1-yl]-1-methylbenzimidazole
CID 122270125
7-benzyl-1,3-dimethyl-8-(3-propan-2-ylpiperazin-1-yl)purine-2,6-dione
CID 10157597
2-piperazin-1-yl-1-propan-2-ylbenzimidazole
CID 22636223
2-[(3R)-3-propan-2-ylpiperazin-1-yl]-8-(trifluoromethyl)quinoxaline
CID 129409832
2-[(3R)-3-propan-2-ylpiperazin-1-yl]-1,8-naphthyridine
CID 129391744
2-[(3-propan-2-yl-1,4-diazepan-1-yl)methyl]quinoline
CID 64858401
1-methyl-2-[5-(2-methylpropylsulfonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]benzimidazole
CID 154581406
1-propan-2-yl-2-pyrrolidin-1-ylbenzimidazole
CID 10105231
6,7-dichloro-2-[(3R)-3-propan-2-ylpiperazin-1-yl]quinoxaline
CID 129409920
3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]piperazine
CID 64925755

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(3S)-3-propan-2-ylpiperazin-1-yl]benzimidazole?
The IUPAC name of 1-methyl-2-[(3S)-3-propan-2-ylpiperazin-1-yl]benzimidazole (CID 129391666) is 1-methyl-2-[(3S)-3-propan-2-ylpiperazin-1-yl]benzimidazole.
What is the SMILES notation for 1-methyl-2-[(3S)-3-propan-2-ylpiperazin-1-yl]benzimidazole?
The canonical SMILES for 1-methyl-2-[(3S)-3-propan-2-ylpiperazin-1-yl]benzimidazole is CC(C)[C@H]1CN(c2nc3ccccc3n2C)CCN1.
What is the InChIKey of 1-methyl-2-[(3S)-3-propan-2-ylpiperazin-1-yl]benzimidazole?
The InChIKey is FEHDTTCYIVNZHK-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N4/c1-11(2)13-10-19(9-8-16-13)15-17-12-6-4-5-7-14(12)18(15)3/h4-7,11,13,16H,8-10H2,1-3H3/t13-/m1/s1.
What are the key properties of 1-methyl-2-[(3S)-3-propan-2-ylpiperazin-1-yl]benzimidazole?
1-methyl-2-[(3S)-3-propan-2-ylpiperazin-1-yl]benzimidazole has a molecular weight of 258.37 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(3S)-3-propan-2-ylpiperazin-1-yl]benzimidazole is sourced from PubChem (CID 129391666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).