1-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-propan-2-ylurea

C15H22N4O — CID 110776234

IUPAC1-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-propan-2-ylurea
SMILESCc1nc2cc(CCNC(=O)NC(C)C)ccc2n1C
InChIInChI=1S/C15H22N4O/c1-10(2)17-15(20)16-8-7-12-5-6-14-13(9-12)18-11(3)19(14)4/h5-6,9-10H,7-8H2,1-4H3,(H2,16,17,20)
InChIKeyWNCSEYVWTPHSAD-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.13
Rot. Bonds4

About 1-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-propan-2-ylurea

1-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-propan-2-ylurea (PubChem CID 110776234) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-propan-2-ylurea
PubChem CID110776234
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-propan-2-ylurea
SMILESCc1nc2cc(CCNC(=O)NC(C)C)ccc2n1C
InChIInChI=1S/C15H22N4O/c1-10(2)17-15(20)16-8-7-12-5-6-14-13(9-12)18-11(3)19(14)4/h5-6,9-10H,7-8H2,1-4H3,(H2,16,17,20)
InChIKeyWNCSEYVWTPHSAD-UHFFFAOYSA-N
XLogP2.13
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,2-dimethylbenzimidazol-5-yl)ethylcarbamic acid
CID 115171173
3-amino-N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]propanamide
CID 115153026
3-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]propanoic acid
CID 112519294
2-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]ethanol
CID 115216317
N-[2-(3-chlorophenyl)ethyl]-2-(1,2-dimethylbenzimidazol-5-yl)acetamide
CID 110773172
N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-(3-fluorophenyl)propanamide
CID 110791794
1-acetyl-N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]piperidine-4-carboxamide
CID 110796185
N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]propan-1-amine
CID 95419153
N-[2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 110765810
1-benzyl-3-[(1,2-dimethylbenzimidazol-5-yl)methyl]urea
CID 110775488
methyl 4-(1,2-dimethylbenzimidazol-5-yl)butanoate
CID 96675259
2-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]-2-methylpropan-1-ol
CID 115133588

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-propan-2-ylurea?
The IUPAC name of 1-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-propan-2-ylurea (CID 110776234) is 1-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-propan-2-ylurea is Cc1nc2cc(CCNC(=O)NC(C)C)ccc2n1C.
What is the InChIKey of 1-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-propan-2-ylurea?
The InChIKey is WNCSEYVWTPHSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-10(2)17-15(20)16-8-7-12-5-6-14-13(9-12)18-11(3)19(14)4/h5-6,9-10H,7-8H2,1-4H3,(H2,16,17,20).
What are the key properties of 1-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-propan-2-ylurea?
1-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-propan-2-ylurea has a molecular weight of 274.37 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-propan-2-ylurea is sourced from PubChem (CID 110776234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).