2-methyl-1-[(3S)-pyrrolidin-3-yl]benzimidazole;hydrochloride

C12H16ClN3 — CID 162422976

IUPAC2-methyl-1-[(3S)-pyrrolidin-3-yl]benzimidazole;hydrochloride
SMILESCc1nc2ccccc2n1[C@H]1CCNC1.Cl
InChIInChI=1S/C12H15N3.ClH/c1-9-14-11-4-2-3-5-12(11)15(9)10-6-7-13-8-10;/h2-5,10,13H,6-8H2,1H3;1H/t10-;/m0./s1
InChIKeyDTNJEZJTWBQTRB-PPHPATTJSA-N
MW237.73 g/mol
LogP2.30
Rot. Bonds1

About 2-methyl-1-[(3S)-pyrrolidin-3-yl]benzimidazole;hydrochloride

2-methyl-1-[(3S)-pyrrolidin-3-yl]benzimidazole;hydrochloride (PubChem CID 162422976) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 2-methyl-1-[(3S)-pyrrolidin-3-yl]benzimidazole;hydrochloride.

Molecular Properties

Compound Name2-methyl-1-[(3S)-pyrrolidin-3-yl]benzimidazole;hydrochloride
PubChem CID162422976
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name2-methyl-1-[(3S)-pyrrolidin-3-yl]benzimidazole;hydrochloride
SMILESCc1nc2ccccc2n1[C@H]1CCNC1.Cl
InChIInChI=1S/C12H15N3.ClH/c1-9-14-11-4-2-3-5-12(11)15(9)10-6-7-13-8-10;/h2-5,10,13H,6-8H2,1H3;1H/t10-;/m0./s1
InChIKeyDTNJEZJTWBQTRB-PPHPATTJSA-N
XLogP2.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-1-pyrrolidin-3-ylbenzimidazole
CID 84784214
4-fluoro-2-methyl-1-pyrrolidin-3-ylbenzimidazole
CID 84786770
2,5-dimethyl-1-piperidin-3-ylbenzimidazole
CID 84793055
2-phenyl-1-piperidin-4-ylbenzimidazole
CID 21222159
3-(2-methylbenzimidazol-1-yl)thietane 1,1-dioxide
CID 139266953
7-bromo-2-methyl-1-piperidin-3-ylbenzimidazole
CID 84815254
1-piperidin-4-yl-2-propylbenzimidazole
CID 82063740
2-methyl-1-[1-(1-phenylethyl)azetidin-3-yl]benzimidazole
CID 139028174
1-methyl-3-[(3S)-pyrrolidin-3-yl]benzimidazol-2-one
CID 162422973
1-(1-benzylpiperidin-4-yl)-2-methylbenzimidazole
CID 21193036
(E)-4-[3-[1-[(3R)-piperidin-3-yl]benzimidazol-2-yl]phenyl]but-3-en-2-one
CID 58787355
1-[(1R,2R)-2-fluorocyclopentyl]-2-methylbenzimidazole
CID 126847861

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(3S)-pyrrolidin-3-yl]benzimidazole;hydrochloride?
The IUPAC name of 2-methyl-1-[(3S)-pyrrolidin-3-yl]benzimidazole;hydrochloride (CID 162422976) is 2-methyl-1-[(3S)-pyrrolidin-3-yl]benzimidazole;hydrochloride.
What is the SMILES notation for 2-methyl-1-[(3S)-pyrrolidin-3-yl]benzimidazole;hydrochloride?
The canonical SMILES for 2-methyl-1-[(3S)-pyrrolidin-3-yl]benzimidazole;hydrochloride is Cc1nc2ccccc2n1[C@H]1CCNC1.Cl.
What is the InChIKey of 2-methyl-1-[(3S)-pyrrolidin-3-yl]benzimidazole;hydrochloride?
The InChIKey is DTNJEZJTWBQTRB-PPHPATTJSA-N. The full InChI is InChI=1S/C12H15N3.ClH/c1-9-14-11-4-2-3-5-12(11)15(9)10-6-7-13-8-10;/h2-5,10,13H,6-8H2,1H3;1H/t10-;/m0./s1.
What are the key properties of 2-methyl-1-[(3S)-pyrrolidin-3-yl]benzimidazole;hydrochloride?
2-methyl-1-[(3S)-pyrrolidin-3-yl]benzimidazole;hydrochloride has a molecular weight of 237.73 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(3S)-pyrrolidin-3-yl]benzimidazole;hydrochloride is sourced from PubChem (CID 162422976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).