tert-butyl N-[1-(1-benzyl-5-methylbenzimidazol-2-yl)-2-methylpropyl]carbamate

C24H31N3O2 — CID 66886965

IUPACtert-butyl N-[1-(1-benzyl-5-methylbenzimidazol-2-yl)-2-methylpropyl]carbamate
SMILESCc1ccc2c(c1)nc(C(NC(=O)OC(C)(C)C)C(C)C)n2Cc1ccccc1
InChIInChI=1S/C24H31N3O2/c1-16(2)21(26-23(28)29-24(4,5)6)22-25-19-14-17(3)12-13-20(19)27(22)15-18-10-8-7-9-11-18/h7-14,16,21H,15H2,1-6H3,(H,26,28)
InChIKeyYZHBNTSZCFWIMY-UHFFFAOYSA-N
MW393.53 g/mol
LogP5.61
Rot. Bonds5

About tert-butyl N-[1-(1-benzyl-5-methylbenzimidazol-2-yl)-2-methylpropyl]carbamate

tert-butyl N-[1-(1-benzyl-5-methylbenzimidazol-2-yl)-2-methylpropyl]carbamate (PubChem CID 66886965) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is tert-butyl N-[1-(1-benzyl-5-methylbenzimidazol-2-yl)-2-methylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(1-benzyl-5-methylbenzimidazol-2-yl)-2-methylpropyl]carbamate
PubChem CID66886965
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Nametert-butyl N-[1-(1-benzyl-5-methylbenzimidazol-2-yl)-2-methylpropyl]carbamate
SMILESCc1ccc2c(c1)nc(C(NC(=O)OC(C)(C)C)C(C)C)n2Cc1ccccc1
InChIInChI=1S/C24H31N3O2/c1-16(2)21(26-23(28)29-24(4,5)6)22-25-19-14-17(3)12-13-20(19)27(22)15-18-10-8-7-9-11-18/h7-14,16,21H,15H2,1-6H3,(H,26,28)
InChIKeyYZHBNTSZCFWIMY-UHFFFAOYSA-N
XLogP5.61
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[1-(1-benzyl-5-methylbenzimidazol-2-yl)-2-methylpropyl]carbamate 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

tert-butyl N-(7-amino-4-benzyl-3-oxoquinoxalin-2-yl)carbamate
CID 170748768
tert-butyl N-[1-[[1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]amino]-2-methylpropan-2-yl]carbamate
CID 69074256
N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972530
N-[(1R)-1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 7694098
tert-butyl N-[1-(6-fluoro-1-phenylbenzimidazol-2-yl)-2-phenylmethoxypropyl]carbamate
CID 77456112
tert-butyl N-[(1S)-2-methyl-1-[1-(phenylmethoxymethyl)imidazol-2-yl]propyl]carbamate
CID 57222911
2-[1-(cyclopropanecarbonylamino)-2-methylpropyl]-1-(2-phenylethyl)benzimidazole-5-carboxylic acid
CID 15475271
2-methoxy-N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16969176
1-benzyl-N-propan-2-yl-2-[4-(propan-2-ylcarbamoyl)phenyl]benzimidazole-5-carboxamide
CID 4915611
methyl 1-benzyl-5-methyl-2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl]imidazole-4-carboxylate
CID 91758250
tert-butyl N-(3-methyl-1-phenylbutan-2-yl)carbamate
CID 10491812
tert-butyl N-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]carbamate
CID 165085489

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(1-benzyl-5-methylbenzimidazol-2-yl)-2-methylpropyl]carbamate?
The IUPAC name of tert-butyl N-[1-(1-benzyl-5-methylbenzimidazol-2-yl)-2-methylpropyl]carbamate (CID 66886965) is tert-butyl N-[1-(1-benzyl-5-methylbenzimidazol-2-yl)-2-methylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(1-benzyl-5-methylbenzimidazol-2-yl)-2-methylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(1-benzyl-5-methylbenzimidazol-2-yl)-2-methylpropyl]carbamate is Cc1ccc2c(c1)nc(C(NC(=O)OC(C)(C)C)C(C)C)n2Cc1ccccc1.
What is the InChIKey of tert-butyl N-[1-(1-benzyl-5-methylbenzimidazol-2-yl)-2-methylpropyl]carbamate?
The InChIKey is YZHBNTSZCFWIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-16(2)21(26-23(28)29-24(4,5)6)22-25-19-14-17(3)12-13-20(19)27(22)15-18-10-8-7-9-11-18/h7-14,16,21H,15H2,1-6H3,(H,26,28).
What are the key properties of tert-butyl N-[1-(1-benzyl-5-methylbenzimidazol-2-yl)-2-methylpropyl]carbamate?
tert-butyl N-[1-(1-benzyl-5-methylbenzimidazol-2-yl)-2-methylpropyl]carbamate has a molecular weight of 393.53 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(1-benzyl-5-methylbenzimidazol-2-yl)-2-methylpropyl]carbamate is sourced from PubChem (CID 66886965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).