4-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-methyl-5,6,7,8-tetrahydroquinazoline

C22H27N5 — CID 133472301

IUPAC4-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-methyl-5,6,7,8-tetrahydroquinazoline
SMILESCCn1c(C2CCCN2c2nc(C)nc3c2CCCC3)nc2ccccc21
InChIInChI=1S/C22H27N5/c1-3-26-19-12-7-6-11-18(19)25-22(26)20-13-8-14-27(20)21-16-9-4-5-10-17(16)23-15(2)24-21/h6-7,11-12,20H,3-5,8-10,13-14H2,1-2H3
InChIKeyGDSULWOJGBKGSX-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.37
Rot. Bonds3

About 4-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-methyl-5,6,7,8-tetrahydroquinazoline

4-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-methyl-5,6,7,8-tetrahydroquinazoline (PubChem CID 133472301) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-methyl-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-methyl-5,6,7,8-tetrahydroquinazoline
PubChem CID133472301
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC Name4-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-methyl-5,6,7,8-tetrahydroquinazoline
SMILESCCn1c(C2CCCN2c2nc(C)nc3c2CCCC3)nc2ccccc21
InChIInChI=1S/C22H27N5/c1-3-26-19-12-7-6-11-18(19)25-22(26)20-13-8-14-27(20)21-16-9-4-5-10-17(16)23-15(2)24-21/h6-7,11-12,20H,3-5,8-10,13-14H2,1-2H3
InChIKeyGDSULWOJGBKGSX-UHFFFAOYSA-N
XLogP4.37
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-methyl-5,6,7,8-tetrahydroquinazoline 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

7-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 71855460
7-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 96997339
4-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]benzonitrile
CID 95278101
6-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]pyrazine-2-carboxamide
CID 133429827
5-[(2S)-2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 124684072
1-ethyl-2-[1-(2-ethylsulfonylethyl)pyrrolidin-2-yl]benzimidazole
CID 71974480
(2R)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-2-ol
CID 111970121
2-[[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 71974479
[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 52851870
2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-1-ethylbenzimidazole
CID 133412290
1-ethyl-2-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]benzimidazole
CID 71859415
1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methylamino]ethanone
CID 124684087

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-methyl-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-methyl-5,6,7,8-tetrahydroquinazoline (CID 133472301) is 4-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-methyl-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-methyl-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-methyl-5,6,7,8-tetrahydroquinazoline is CCn1c(C2CCCN2c2nc(C)nc3c2CCCC3)nc2ccccc21.
What is the InChIKey of 4-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-methyl-5,6,7,8-tetrahydroquinazoline?
The InChIKey is GDSULWOJGBKGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5/c1-3-26-19-12-7-6-11-18(19)25-22(26)20-13-8-14-27(20)21-16-9-4-5-10-17(16)23-15(2)24-21/h6-7,11-12,20H,3-5,8-10,13-14H2,1-2H3.
What are the key properties of 4-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-methyl-5,6,7,8-tetrahydroquinazoline?
4-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-methyl-5,6,7,8-tetrahydroquinazoline has a molecular weight of 361.49 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-methyl-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 133472301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).