4,5-dimethyl-2-pyrrolidin-2-yl-1H-benzimidazole

C13H17N3 — CID 25219064

IUPAC4,5-dimethyl-2-pyrrolidin-2-yl-1H-benzimidazole
SMILESCc1ccc2[nH]c(C3CCCN3)nc2c1C
InChIInChI=1S/C13H17N3/c1-8-5-6-10-12(9(8)2)16-13(15-10)11-4-3-7-14-11/h5-6,11,14H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyRMMWWJVDMGWUCD-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.60
Rot. Bonds1

About 4,5-dimethyl-2-pyrrolidin-2-yl-1H-benzimidazole

4,5-dimethyl-2-pyrrolidin-2-yl-1H-benzimidazole (PubChem CID 25219064) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 4,5-dimethyl-2-pyrrolidin-2-yl-1H-benzimidazole.

Molecular Properties

Compound Name4,5-dimethyl-2-pyrrolidin-2-yl-1H-benzimidazole
PubChem CID25219064
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name4,5-dimethyl-2-pyrrolidin-2-yl-1H-benzimidazole
SMILESCc1ccc2[nH]c(C3CCCN3)nc2c1C
InChIInChI=1S/C13H17N3/c1-8-5-6-10-12(9(8)2)16-13(15-10)11-4-3-7-14-11/h5-6,11,14H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyRMMWWJVDMGWUCD-UHFFFAOYSA-N
XLogP2.60
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4,5-dimethyl-2-pyrrolidin-2-yl-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-2-pyrrolidin-2-yl-1H-benzimidazole
CID 84631003
2-(azocan-2-yl)-4-methyl-1H-benzimidazole
CID 114239782
4-methyl-6-[4-(7-methyl-2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)phenyl]-2-pyrrolidin-2-yl-1H-benzimidazole
CID 77279480
4-methyl-6-[4-[7-methyl-2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]phenyl]-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 67107027
7-[4-methyl-2-[(2S)-pyrrolidin-2-yl]-1H-cyclodeca[d]imidazol-7-yl]-2-[(2S)-pyrrolidin-2-yl]-3H-benzo[e]benzimidazole
CID 67477656
4-methylsulfonyl-2-piperidin-2-yl-1H-benzimidazole
CID 82008772
(2-pyrrolidin-2-yl-3H-benzo[e]benzimidazol-7-yl) hypoiodite
CID 145150337
5,6-dimethyl-2-piperidin-2-yl-1H-benzimidazole
CID 62336920
5-fluoro-6-methyl-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 83857633
4,6-difluoro-2-[(2R)-pyrrolidin-2-yl]-1H-benzimidazole
CID 94919995
5-ethoxy-2-pyrrolidin-2-yl-1H-imidazo[4,5-b]pyridine
CID 79815652
N-[[7-[2-[(2S)-pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]-3H-benzo[e]benzimidazol-2-yl]methyl]propan-1-amine
CID 143849157

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-pyrrolidin-2-yl-1H-benzimidazole?
The IUPAC name of 4,5-dimethyl-2-pyrrolidin-2-yl-1H-benzimidazole (CID 25219064) is 4,5-dimethyl-2-pyrrolidin-2-yl-1H-benzimidazole.
What is the SMILES notation for 4,5-dimethyl-2-pyrrolidin-2-yl-1H-benzimidazole?
The canonical SMILES for 4,5-dimethyl-2-pyrrolidin-2-yl-1H-benzimidazole is Cc1ccc2[nH]c(C3CCCN3)nc2c1C.
What is the InChIKey of 4,5-dimethyl-2-pyrrolidin-2-yl-1H-benzimidazole?
The InChIKey is RMMWWJVDMGWUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-8-5-6-10-12(9(8)2)16-13(15-10)11-4-3-7-14-11/h5-6,11,14H,3-4,7H2,1-2H3,(H,15,16).
What are the key properties of 4,5-dimethyl-2-pyrrolidin-2-yl-1H-benzimidazole?
4,5-dimethyl-2-pyrrolidin-2-yl-1H-benzimidazole has a molecular weight of 215.30 g/mol, XLogP of 2.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-pyrrolidin-2-yl-1H-benzimidazole is sourced from PubChem (CID 25219064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).