3-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methyl-1-(pyridin-2-ylmethyl)urea

C19H23N5O — CID 86841638

IUPAC3-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methyl-1-(pyridin-2-ylmethyl)urea
SMILESCC(C)C(NC(=O)N(C)Cc1ccccn1)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H23N5O/c1-13(2)17(18-21-15-9-4-5-10-16(15)22-18)23-19(25)24(3)12-14-8-6-7-11-20-14/h4-11,13,17H,12H2,1-3H3,(H,21,22)(H,23,25)
InChIKeyJRJUWTRPDDKGCA-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.50
Rot. Bonds5

About 3-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methyl-1-(pyridin-2-ylmethyl)urea

3-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methyl-1-(pyridin-2-ylmethyl)urea (PubChem CID 86841638) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 3-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methyl-1-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name3-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methyl-1-(pyridin-2-ylmethyl)urea
PubChem CID86841638
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name3-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methyl-1-(pyridin-2-ylmethyl)urea
SMILESCC(C)C(NC(=O)N(C)Cc1ccccn1)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H23N5O/c1-13(2)17(18-21-15-9-4-5-10-16(15)22-18)23-19(25)24(3)12-14-8-6-7-11-20-14/h4-11,13,17H,12H2,1-3H3,(H,21,22)(H,23,25)
InChIKeyJRJUWTRPDDKGCA-UHFFFAOYSA-N
XLogP3.50
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]butanamide
CID 47100277
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide
CID 47141201
2-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide
CID 119854033
N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-2-pyridin-2-ylacetamide
CID 99973307
3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide
CID 120503082
3-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 78888249
3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]propanamide;dihydrochloride
CID 119854046
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 51205905
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenoxy)acetamide
CID 51158137
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(4-fluorophenoxy)propanamide
CID 55595818
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 51158115
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide
CID 3701693

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methyl-1-(pyridin-2-ylmethyl)urea?
The IUPAC name of 3-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methyl-1-(pyridin-2-ylmethyl)urea (CID 86841638) is 3-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methyl-1-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 3-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methyl-1-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 3-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methyl-1-(pyridin-2-ylmethyl)urea is CC(C)C(NC(=O)N(C)Cc1ccccn1)c1nc2ccccc2[nH]1.
What is the InChIKey of 3-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methyl-1-(pyridin-2-ylmethyl)urea?
The InChIKey is JRJUWTRPDDKGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-13(2)17(18-21-15-9-4-5-10-16(15)22-18)23-19(25)24(3)12-14-8-6-7-11-20-14/h4-11,13,17H,12H2,1-3H3,(H,21,22)(H,23,25).
What are the key properties of 3-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methyl-1-(pyridin-2-ylmethyl)urea?
3-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methyl-1-(pyridin-2-ylmethyl)urea has a molecular weight of 337.43 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methyl-1-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 86841638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).