1-cyclopropyl-5-methyl-2-(3-methylpyrrolidin-2-yl)benzimidazole

C16H21N3 — CID 102776684

IUPAC1-cyclopropyl-5-methyl-2-(3-methylpyrrolidin-2-yl)benzimidazole
SMILESCc1ccc2c(c1)nc(C1NCCC1C)n2C1CC1
InChIInChI=1S/C16H21N3/c1-10-3-6-14-13(9-10)18-16(19(14)12-4-5-12)15-11(2)7-8-17-15/h3,6,9,11-12,15,17H,4-5,7-8H2,1-2H3
InChIKeySFXRJCNIVCBVTI-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.35
Rot. Bonds2

About 1-cyclopropyl-5-methyl-2-(3-methylpyrrolidin-2-yl)benzimidazole

1-cyclopropyl-5-methyl-2-(3-methylpyrrolidin-2-yl)benzimidazole (PubChem CID 102776684) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-cyclopropyl-5-methyl-2-(3-methylpyrrolidin-2-yl)benzimidazole.

Molecular Properties

Compound Name1-cyclopropyl-5-methyl-2-(3-methylpyrrolidin-2-yl)benzimidazole
PubChem CID102776684
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name1-cyclopropyl-5-methyl-2-(3-methylpyrrolidin-2-yl)benzimidazole
SMILESCc1ccc2c(c1)nc(C1NCCC1C)n2C1CC1
InChIInChI=1S/C16H21N3/c1-10-3-6-14-13(9-10)18-16(19(14)12-4-5-12)15-11(2)7-8-17-15/h3,6,9,11-12,15,17H,4-5,7-8H2,1-2H3
InChIKeySFXRJCNIVCBVTI-UHFFFAOYSA-N
XLogP3.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-6-fluoro-2-(3-methylpiperidin-2-yl)benzimidazole
CID 107070503
5-methyl-1-piperidin-4-ylbenzimidazol-2-amine
CID 84793876
3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid
CID 103551612
2,5-dimethyl-1-pyrrolidin-3-ylbenzimidazole
CID 84784214
4-cyclopropyl-3-methyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-triazole
CID 102783728
5-chloro-1-cyclopropyl-2-(4-methylpyrrolidin-3-yl)benzimidazole
CID 63719848
1-cyclopropyl-2-(2-methylpyrrolidin-3-yl)benzimidazole
CID 79364147
2-(chloromethyl)-1-cyclobutyl-5-methylbenzimidazole
CID 62413831
2,5-dimethyl-1-piperidin-3-ylbenzimidazole
CID 84793055
2-(3-chloropropyl)-1-cyclopropyl-5-methylbenzimidazole
CID 60783894
3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)-4-methylaniline
CID 63652621
5-methyl-1-(2-methylprop-2-enyl)-2-piperidin-4-ylbenzimidazole
CID 82333242

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-methyl-2-(3-methylpyrrolidin-2-yl)benzimidazole?
The IUPAC name of 1-cyclopropyl-5-methyl-2-(3-methylpyrrolidin-2-yl)benzimidazole (CID 102776684) is 1-cyclopropyl-5-methyl-2-(3-methylpyrrolidin-2-yl)benzimidazole.
What is the SMILES notation for 1-cyclopropyl-5-methyl-2-(3-methylpyrrolidin-2-yl)benzimidazole?
The canonical SMILES for 1-cyclopropyl-5-methyl-2-(3-methylpyrrolidin-2-yl)benzimidazole is Cc1ccc2c(c1)nc(C1NCCC1C)n2C1CC1.
What is the InChIKey of 1-cyclopropyl-5-methyl-2-(3-methylpyrrolidin-2-yl)benzimidazole?
The InChIKey is SFXRJCNIVCBVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-10-3-6-14-13(9-10)18-16(19(14)12-4-5-12)15-11(2)7-8-17-15/h3,6,9,11-12,15,17H,4-5,7-8H2,1-2H3.
What are the key properties of 1-cyclopropyl-5-methyl-2-(3-methylpyrrolidin-2-yl)benzimidazole?
1-cyclopropyl-5-methyl-2-(3-methylpyrrolidin-2-yl)benzimidazole has a molecular weight of 255.36 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-methyl-2-(3-methylpyrrolidin-2-yl)benzimidazole is sourced from PubChem (CID 102776684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).