1-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-(2,2-dimethylpropyl)urea

C16H24N4O — CID 110775493

IUPAC1-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-(2,2-dimethylpropyl)urea
SMILESCc1nc2cc(CNC(=O)NCC(C)(C)C)ccc2n1C
InChIInChI=1S/C16H24N4O/c1-11-19-13-8-12(6-7-14(13)20(11)5)9-17-15(21)18-10-16(2,3)4/h6-8H,9-10H2,1-5H3,(H2,17,18,21)
InChIKeyYNULPAYMIIHEJE-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.73
Rot. Bonds3

About 1-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-(2,2-dimethylpropyl)urea

1-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-(2,2-dimethylpropyl)urea (PubChem CID 110775493) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-(2,2-dimethylpropyl)urea.

Molecular Properties

Compound Name1-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-(2,2-dimethylpropyl)urea
PubChem CID110775493
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name1-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-(2,2-dimethylpropyl)urea
SMILESCc1nc2cc(CNC(=O)NCC(C)(C)C)ccc2n1C
InChIInChI=1S/C16H24N4O/c1-11-19-13-8-12(6-7-14(13)20(11)5)9-17-15(21)18-10-16(2,3)4/h6-8H,9-10H2,1-5H3,(H2,17,18,21)
InChIKeyYNULPAYMIIHEJE-UHFFFAOYSA-N
XLogP2.73
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-[(1,2-dimethylbenzimidazol-5-yl)methyl]urea
CID 110775488
methyl 2-[(1,2-dimethylbenzimidazol-5-yl)methylamino]-2-oxoacetate
CID 115142414
1-N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylpropane-1,2-diamine
CID 115135940
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-ethylbutanamide
CID 110785953
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]adamantane-1-carboxamide
CID 110785997
2-(1,2-dimethylbenzimidazol-5-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 110773124
3-[(1,2-dimethylbenzimidazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 115135338
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylbenzamide
CID 110785957
2-(1,2-dimethylbenzimidazol-5-yl)acetohydrazide
CID 116843404
2-(1,2-dimethylbenzimidazol-5-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 110773123
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3,5-dimethoxybenzamide
CID 110785967
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-ethoxypropanamide
CID 119059423

Frequently Asked Questions

What is the IUPAC name of 1-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-(2,2-dimethylpropyl)urea?
The IUPAC name of 1-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-(2,2-dimethylpropyl)urea (CID 110775493) is 1-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-(2,2-dimethylpropyl)urea.
What is the SMILES notation for 1-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-(2,2-dimethylpropyl)urea?
The canonical SMILES for 1-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-(2,2-dimethylpropyl)urea is Cc1nc2cc(CNC(=O)NCC(C)(C)C)ccc2n1C.
What is the InChIKey of 1-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-(2,2-dimethylpropyl)urea?
The InChIKey is YNULPAYMIIHEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-11-19-13-8-12(6-7-14(13)20(11)5)9-17-15(21)18-10-16(2,3)4/h6-8H,9-10H2,1-5H3,(H2,17,18,21).
What are the key properties of 1-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-(2,2-dimethylpropyl)urea?
1-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-(2,2-dimethylpropyl)urea has a molecular weight of 288.39 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-(2,2-dimethylpropyl)urea is sourced from PubChem (CID 110775493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).