6-methylidene-2-pyrrolidin-2-yl-1,5-dihydrobenzimidazole

C12H15N3 — CID 90745506

IUPAC6-methylidene-2-pyrrolidin-2-yl-1,5-dihydrobenzimidazole
SMILESC=C1C=c2[nH]c(C3CCCN3)nc2=CC1
InChIInChI=1S/C12H15N3/c1-8-4-5-9-11(7-8)15-12(14-9)10-3-2-6-13-10/h5,7,10,13H,1-4,6H2,(H,14,15)
InChIKeyNMUUOPBALYTYNE-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.36
Rot. Bonds1

About 6-methylidene-2-pyrrolidin-2-yl-1,5-dihydrobenzimidazole

6-methylidene-2-pyrrolidin-2-yl-1,5-dihydrobenzimidazole (PubChem CID 90745506) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 6-methylidene-2-pyrrolidin-2-yl-1,5-dihydrobenzimidazole.

Molecular Properties

Compound Name6-methylidene-2-pyrrolidin-2-yl-1,5-dihydrobenzimidazole
PubChem CID90745506
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name6-methylidene-2-pyrrolidin-2-yl-1,5-dihydrobenzimidazole
SMILESC=C1C=c2[nH]c(C3CCCN3)nc2=CC1
InChIInChI=1S/C12H15N3/c1-8-4-5-9-11(7-8)15-12(14-9)10-3-2-6-13-10/h5,7,10,13H,1-4,6H2,(H,14,15)
InChIKeyNMUUOPBALYTYNE-UHFFFAOYSA-N
XLogP0.36
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-2,5-dimethyl-3a,4-dihydro-1H-benzimidazole
CID 137466790
(2-methyl-7,7a-dihydro-3H-benzimidazol-5-yl)methanamine
CID 70224389
3-(3a,4-dihydro-1H-benzimidazol-2-yl)-N-methylpentan-1-amine
CID 70988985
4-methyl-2-propyl-3a,7a-dihydro-1H-benzimidazole
CID 89098003
(4E,5E)-4-butylidene-5-propylidene-2-pyrrolidin-2-yl-1H-imidazole
CID 90719485
4-[1,1-Dimethyl-2-(1-methylpyrrolidin-2-yl)imidazol-1-ium-4-yl]-1,2,3,6-tetrahydropyridine
CID 91197302
(1,5-Dimethyl-3a,4-dihydrobenzimidazol-2-yl)methanamine
CID 123648545
(2S)-N'-methyl-N-[(3Z)-2-methylhexa-3,5-dien-3-yl]pyrrolidine-2-carboximidamide
CID 129144282
2-(2,5-dimethylhexa-2,4-dien-3-yl)-6-propyl-5,6-dihydro-3H-imidazo[4,5-c]pyridine
CID 130216918
2,6,7-trimethyl-3a,4-dihydro-1H-benzimidazole
CID 137466735
2,6-dimethyl-3a,4-dihydro-1H-benzimidazole
CID 137466750
2,5-dimethyl-3a,4-dihydro-1H-benzimidazole
CID 137466863

Frequently Asked Questions

What is the IUPAC name of 6-methylidene-2-pyrrolidin-2-yl-1,5-dihydrobenzimidazole?
The IUPAC name of 6-methylidene-2-pyrrolidin-2-yl-1,5-dihydrobenzimidazole (CID 90745506) is 6-methylidene-2-pyrrolidin-2-yl-1,5-dihydrobenzimidazole.
What is the SMILES notation for 6-methylidene-2-pyrrolidin-2-yl-1,5-dihydrobenzimidazole?
The canonical SMILES for 6-methylidene-2-pyrrolidin-2-yl-1,5-dihydrobenzimidazole is C=C1C=c2[nH]c(C3CCCN3)nc2=CC1.
What is the InChIKey of 6-methylidene-2-pyrrolidin-2-yl-1,5-dihydrobenzimidazole?
The InChIKey is NMUUOPBALYTYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-8-4-5-9-11(7-8)15-12(14-9)10-3-2-6-13-10/h5,7,10,13H,1-4,6H2,(H,14,15).
What are the key properties of 6-methylidene-2-pyrrolidin-2-yl-1,5-dihydrobenzimidazole?
6-methylidene-2-pyrrolidin-2-yl-1,5-dihydrobenzimidazole has a molecular weight of 201.27 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-2-pyrrolidin-2-yl-1,5-dihydrobenzimidazole is sourced from PubChem (CID 90745506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).