1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea

C13H18N4O — CID 23548549

IUPAC1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C13H18N4O/c1-8(2)14-13(18)15-9(3)12-16-10-6-4-5-7-11(10)17-12/h4-9H,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyDDHUYPYOQGBRAZ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.33
Rot. Bonds3

About 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea

1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea (PubChem CID 23548549) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea
PubChem CID23548549
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C13H18N4O/c1-8(2)14-13(18)15-9(3)12-16-10-6-4-5-7-11(10)17-12/h4-9H,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyDDHUYPYOQGBRAZ-UHFFFAOYSA-N
XLogP2.33
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111504118
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751239
propan-2-yl N-[1-(1H-benzimidazol-2-yl)ethyl]carbamate
CID 62668799
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-naphthalen-1-ylurea
CID 18144661
2-amino-N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 110460891
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-methylcyclopentane-1-carboxamide
CID 78925715
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-3-ylurea
CID 18129110
1-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]cycloheptane-1-carboxamide
CID 119060351
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methoxyacetamide
CID 3237629

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea?
The IUPAC name of 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea (CID 23548549) is 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea is CC(C)NC(=O)NC(C)c1nc2ccccc2[nH]1.
What is the InChIKey of 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea?
The InChIKey is DDHUYPYOQGBRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-8(2)14-13(18)15-9(3)12-16-10-6-4-5-7-11(10)17-12/h4-9H,1-3H3,(H,16,17)(H2,14,15,18).
What are the key properties of 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea?
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea has a molecular weight of 246.31 g/mol, XLogP of 2.33, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea is sourced from PubChem (CID 23548549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).