1-methoxy-3-[(1-methylbenzimidazol-2-yl)-phenylmethyl]urea

C17H18N4O2 — CID 86816785

IUPAC1-methoxy-3-[(1-methylbenzimidazol-2-yl)-phenylmethyl]urea
SMILESCONC(=O)NC(c1ccccc1)c1nc2ccccc2n1C
InChIInChI=1S/C17H18N4O2/c1-21-14-11-7-6-10-13(14)18-16(21)15(19-17(22)20-23-2)12-8-4-3-5-9-12/h3-11,15H,1-2H3,(H2,19,20,22)
InChIKeyGYMJWVZBSFZZQT-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.52
Rot. Bonds4

About 1-methoxy-3-[(1-methylbenzimidazol-2-yl)-phenylmethyl]urea

1-methoxy-3-[(1-methylbenzimidazol-2-yl)-phenylmethyl]urea (PubChem CID 86816785) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-methoxy-3-[(1-methylbenzimidazol-2-yl)-phenylmethyl]urea.

Molecular Properties

Compound Name1-methoxy-3-[(1-methylbenzimidazol-2-yl)-phenylmethyl]urea
PubChem CID86816785
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name1-methoxy-3-[(1-methylbenzimidazol-2-yl)-phenylmethyl]urea
SMILESCONC(=O)NC(c1ccccc1)c1nc2ccccc2n1C
InChIInChI=1S/C17H18N4O2/c1-21-14-11-7-6-10-13(14)18-16(21)15(19-17(22)20-23-2)12-8-4-3-5-9-12/h3-11,15H,1-2H3,(H2,19,20,22)
InChIKeyGYMJWVZBSFZZQT-UHFFFAOYSA-N
XLogP2.52
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]-3-pyridin-3-ylurea
CID 52535419
methyl 2-[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]acetate
CID 99613603
N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]thiadiazole-5-carboxamide
CID 95234713
7-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]heptanamide
CID 119863894
2-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]pentanamide;dihydrochloride
CID 119863897
N-methyl-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine
CID 3009976
3,4,5-triethoxy-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]benzamide
CID 60588886
2-cyclopentyl-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide
CID 52535851
(2R)-2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]propanamide
CID 96535378
N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-N',N'-dipropylpentanediamide
CID 56540206
N-[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-[(2R)-oxolan-2-yl]acetamide
CID 94821546
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide
CID 98727973

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[(1-methylbenzimidazol-2-yl)-phenylmethyl]urea?
The IUPAC name of 1-methoxy-3-[(1-methylbenzimidazol-2-yl)-phenylmethyl]urea (CID 86816785) is 1-methoxy-3-[(1-methylbenzimidazol-2-yl)-phenylmethyl]urea.
What is the SMILES notation for 1-methoxy-3-[(1-methylbenzimidazol-2-yl)-phenylmethyl]urea?
The canonical SMILES for 1-methoxy-3-[(1-methylbenzimidazol-2-yl)-phenylmethyl]urea is CONC(=O)NC(c1ccccc1)c1nc2ccccc2n1C.
What is the InChIKey of 1-methoxy-3-[(1-methylbenzimidazol-2-yl)-phenylmethyl]urea?
The InChIKey is GYMJWVZBSFZZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-21-14-11-7-6-10-13(14)18-16(21)15(19-17(22)20-23-2)12-8-4-3-5-9-12/h3-11,15H,1-2H3,(H2,19,20,22).
What are the key properties of 1-methoxy-3-[(1-methylbenzimidazol-2-yl)-phenylmethyl]urea?
1-methoxy-3-[(1-methylbenzimidazol-2-yl)-phenylmethyl]urea has a molecular weight of 310.36 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[(1-methylbenzimidazol-2-yl)-phenylmethyl]urea is sourced from PubChem (CID 86816785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).