1-methyl-7-propan-2-yl-2-(pyrrolidin-2-ylmethyl)benzimidazole

C16H23N3 — CID 84636819

IUPAC1-methyl-7-propan-2-yl-2-(pyrrolidin-2-ylmethyl)benzimidazole
SMILESCC(C)c1cccc2nc(CC3CCCN3)n(C)c12
InChIInChI=1S/C16H23N3/c1-11(2)13-7-4-8-14-16(13)19(3)15(18-14)10-12-6-5-9-17-12/h4,7-8,11-12,17H,5-6,9-10H2,1-3H3
InChIKeyDMJXROHQWJTDJB-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.99
Rot. Bonds3

About 1-methyl-7-propan-2-yl-2-(pyrrolidin-2-ylmethyl)benzimidazole

1-methyl-7-propan-2-yl-2-(pyrrolidin-2-ylmethyl)benzimidazole (PubChem CID 84636819) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-methyl-7-propan-2-yl-2-(pyrrolidin-2-ylmethyl)benzimidazole.

Molecular Properties

Compound Name1-methyl-7-propan-2-yl-2-(pyrrolidin-2-ylmethyl)benzimidazole
PubChem CID84636819
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-methyl-7-propan-2-yl-2-(pyrrolidin-2-ylmethyl)benzimidazole
SMILESCC(C)c1cccc2nc(CC3CCCN3)n(C)c12
InChIInChI=1S/C16H23N3/c1-11(2)13-7-4-8-14-16(13)19(3)15(18-14)10-12-6-5-9-17-12/h4,7-8,11-12,17H,5-6,9-10H2,1-3H3
InChIKeyDMJXROHQWJTDJB-UHFFFAOYSA-N
XLogP2.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-2-ylmethyl)-1-methylbenzimidazole
CID 79750642
4-chloro-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 84633647
1,6-dimethyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 83858076
5,7-difluoro-1-methyl-2-(piperidin-2-ylmethyl)benzimidazole
CID 84639882
6-ethyl-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 84630966
5-bromo-1,7-dimethyl-2-(piperidin-2-ylmethyl)benzimidazole
CID 84646012
3-[(7-fluoro-1-methylbenzimidazol-2-yl)methyl]morpholine
CID 112741025
1-methyl-5-methylsulfonyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 81456118
4-methoxy-1-methyl-2-(piperidin-2-ylmethyl)benzimidazole
CID 84637903
3-(1-methylpiperidin-4-yl)-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163215
2-[(4-propan-2-ylphenyl)methyl]pyrrolidine
CID 14921538
3-methyl-2-(piperidin-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 84641963

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-propan-2-yl-2-(pyrrolidin-2-ylmethyl)benzimidazole?
The IUPAC name of 1-methyl-7-propan-2-yl-2-(pyrrolidin-2-ylmethyl)benzimidazole (CID 84636819) is 1-methyl-7-propan-2-yl-2-(pyrrolidin-2-ylmethyl)benzimidazole.
What is the SMILES notation for 1-methyl-7-propan-2-yl-2-(pyrrolidin-2-ylmethyl)benzimidazole?
The canonical SMILES for 1-methyl-7-propan-2-yl-2-(pyrrolidin-2-ylmethyl)benzimidazole is CC(C)c1cccc2nc(CC3CCCN3)n(C)c12.
What is the InChIKey of 1-methyl-7-propan-2-yl-2-(pyrrolidin-2-ylmethyl)benzimidazole?
The InChIKey is DMJXROHQWJTDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-11(2)13-7-4-8-14-16(13)19(3)15(18-14)10-12-6-5-9-17-12/h4,7-8,11-12,17H,5-6,9-10H2,1-3H3.
What are the key properties of 1-methyl-7-propan-2-yl-2-(pyrrolidin-2-ylmethyl)benzimidazole?
1-methyl-7-propan-2-yl-2-(pyrrolidin-2-ylmethyl)benzimidazole has a molecular weight of 257.38 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-propan-2-yl-2-(pyrrolidin-2-ylmethyl)benzimidazole is sourced from PubChem (CID 84636819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).