1-methyl-3-[1-[1-(1-methylbenzimidazol-5-yl)imidazol-2-yl]-2-phenylethyl]urea

C21H22N6O — CID 145032559

IUPAC1-methyl-3-[1-[1-(1-methylbenzimidazol-5-yl)imidazol-2-yl]-2-phenylethyl]urea
SMILESCNC(=O)NC(Cc1ccccc1)c1nccn1-c1ccc2c(c1)ncn2C
InChIInChI=1S/C21H22N6O/c1-22-21(28)25-18(12-15-6-4-3-5-7-15)20-23-10-11-27(20)16-8-9-19-17(13-16)24-14-26(19)2/h3-11,13-14,18H,12H2,1-2H3,(H2,22,25,28)
InChIKeyOVMBUZHKTMCJBR-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.97
Rot. Bonds5

About 1-methyl-3-[1-[1-(1-methylbenzimidazol-5-yl)imidazol-2-yl]-2-phenylethyl]urea

1-methyl-3-[1-[1-(1-methylbenzimidazol-5-yl)imidazol-2-yl]-2-phenylethyl]urea (PubChem CID 145032559) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 1-methyl-3-[1-[1-(1-methylbenzimidazol-5-yl)imidazol-2-yl]-2-phenylethyl]urea.

Molecular Properties

Compound Name1-methyl-3-[1-[1-(1-methylbenzimidazol-5-yl)imidazol-2-yl]-2-phenylethyl]urea
PubChem CID145032559
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name1-methyl-3-[1-[1-(1-methylbenzimidazol-5-yl)imidazol-2-yl]-2-phenylethyl]urea
SMILESCNC(=O)NC(Cc1ccccc1)c1nccn1-c1ccc2c(c1)ncn2C
InChIInChI=1S/C21H22N6O/c1-22-21(28)25-18(12-15-6-4-3-5-7-15)20-23-10-11-27(20)16-8-9-19-17(13-16)24-14-26(19)2/h3-11,13-14,18H,12H2,1-2H3,(H2,22,25,28)
InChIKeyOVMBUZHKTMCJBR-UHFFFAOYSA-N
XLogP2.97
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1S)-1-[1-(1,3-benzothiazol-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea
CID 118950694
1-[1-[1-(1,3-benzothiazol-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea
CID 118950695
1-[(1S)-1-[1-(3-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea
CID 118950919
1-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea
CID 118950753
N-methyl-1-(1-methylimidazol-2-yl)-2-phenylethanamine
CID 63976862
[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]-3-phenylpropyl]urea
CID 145032499
1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[3-(2-oxopentyl)phenyl]imidazol-2-yl]-2-phenylethyl]urea
CID 149053875
N-[3-[2-[1-[(2-methylphenyl)sulfinylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]butanamide
CID 145032550
1-(1,2-diphenylethyl)-3-methylurea
CID 23548551
N-[1-(1-methylimidazol-2-yl)-2-phenylethyl]-1H-indole-2-carboxamide
CID 54006478
1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea
CID 118950529
N-[1-[1-(4-bromophenyl)imidazol-2-yl]-2-phenylethyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 166790108

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-[1-(1-methylbenzimidazol-5-yl)imidazol-2-yl]-2-phenylethyl]urea?
The IUPAC name of 1-methyl-3-[1-[1-(1-methylbenzimidazol-5-yl)imidazol-2-yl]-2-phenylethyl]urea (CID 145032559) is 1-methyl-3-[1-[1-(1-methylbenzimidazol-5-yl)imidazol-2-yl]-2-phenylethyl]urea.
What is the SMILES notation for 1-methyl-3-[1-[1-(1-methylbenzimidazol-5-yl)imidazol-2-yl]-2-phenylethyl]urea?
The canonical SMILES for 1-methyl-3-[1-[1-(1-methylbenzimidazol-5-yl)imidazol-2-yl]-2-phenylethyl]urea is CNC(=O)NC(Cc1ccccc1)c1nccn1-c1ccc2c(c1)ncn2C.
What is the InChIKey of 1-methyl-3-[1-[1-(1-methylbenzimidazol-5-yl)imidazol-2-yl]-2-phenylethyl]urea?
The InChIKey is OVMBUZHKTMCJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-22-21(28)25-18(12-15-6-4-3-5-7-15)20-23-10-11-27(20)16-8-9-19-17(13-16)24-14-26(19)2/h3-11,13-14,18H,12H2,1-2H3,(H2,22,25,28).
What are the key properties of 1-methyl-3-[1-[1-(1-methylbenzimidazol-5-yl)imidazol-2-yl]-2-phenylethyl]urea?
1-methyl-3-[1-[1-(1-methylbenzimidazol-5-yl)imidazol-2-yl]-2-phenylethyl]urea has a molecular weight of 374.45 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-[1-(1-methylbenzimidazol-5-yl)imidazol-2-yl]-2-phenylethyl]urea is sourced from PubChem (CID 145032559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).