1-[(2-methylphenyl)methyl]-3-[2-(1,3-thiazol-2-yl)-3H-benzimidazol-5-yl]urea

C19H17N5OS — CID 91000697

IUPAC1-[(2-methylphenyl)methyl]-3-[2-(1,3-thiazol-2-yl)-3H-benzimidazol-5-yl]urea
SMILESCc1ccccc1CNC(=O)Nc1ccc2nc(-c3nccs3)[nH]c2c1
InChIInChI=1S/C19H17N5OS/c1-12-4-2-3-5-13(12)11-21-19(25)22-14-6-7-15-16(10-14)24-17(23-15)18-20-8-9-26-18/h2-10H,11H2,1H3,(H,23,24)(H2,21,22,25)
InChIKeyNWLIDMNJSWGFBH-UHFFFAOYSA-N
MW363.45 g/mol
LogP4.32
Rot. Bonds4

About 1-[(2-methylphenyl)methyl]-3-[2-(1,3-thiazol-2-yl)-3H-benzimidazol-5-yl]urea

1-[(2-methylphenyl)methyl]-3-[2-(1,3-thiazol-2-yl)-3H-benzimidazol-5-yl]urea (PubChem CID 91000697) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]-3-[2-(1,3-thiazol-2-yl)-3H-benzimidazol-5-yl]urea.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]-3-[2-(1,3-thiazol-2-yl)-3H-benzimidazol-5-yl]urea
PubChem CID91000697
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC Name1-[(2-methylphenyl)methyl]-3-[2-(1,3-thiazol-2-yl)-3H-benzimidazol-5-yl]urea
SMILESCc1ccccc1CNC(=O)Nc1ccc2nc(-c3nccs3)[nH]c2c1
InChIInChI=1S/C19H17N5OS/c1-12-4-2-3-5-13(12)11-21-19(25)22-14-6-7-15-16(10-14)24-17(23-15)18-20-8-9-26-18/h2-10H,11H2,1H3,(H,23,24)(H2,21,22,25)
InChIKeyNWLIDMNJSWGFBH-UHFFFAOYSA-N
XLogP4.32
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-bromophenyl)methyl]-3-[2-(1,3-thiazol-2-yl)-3H-benzimidazol-5-yl]urea
CID 91612201
N-[4-[(2-methylphenyl)methylcarbamoylamino]phenyl]acetamide
CID 108897103
1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-[(2-methylphenyl)methyl]urea
CID 108897255
1-[(2-methylphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea
CID 108897270
1-benzyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 60545932
2-methoxy-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)acetamide
CID 56762292
1-(2-naphthalen-1-ylethyl)-3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]urea
CID 69359638
1-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 98000588
1-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(2-propan-2-yl-3H-benzimidazol-5-yl)urea
CID 72921115
ethyl N-[2-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]carbamate
CID 25065962
N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)pyridine-4-carboxamide
CID 53368586
3-methylsulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)propanamide
CID 60612606

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]-3-[2-(1,3-thiazol-2-yl)-3H-benzimidazol-5-yl]urea?
The IUPAC name of 1-[(2-methylphenyl)methyl]-3-[2-(1,3-thiazol-2-yl)-3H-benzimidazol-5-yl]urea (CID 91000697) is 1-[(2-methylphenyl)methyl]-3-[2-(1,3-thiazol-2-yl)-3H-benzimidazol-5-yl]urea.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]-3-[2-(1,3-thiazol-2-yl)-3H-benzimidazol-5-yl]urea?
The canonical SMILES for 1-[(2-methylphenyl)methyl]-3-[2-(1,3-thiazol-2-yl)-3H-benzimidazol-5-yl]urea is Cc1ccccc1CNC(=O)Nc1ccc2nc(-c3nccs3)[nH]c2c1.
What is the InChIKey of 1-[(2-methylphenyl)methyl]-3-[2-(1,3-thiazol-2-yl)-3H-benzimidazol-5-yl]urea?
The InChIKey is NWLIDMNJSWGFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-12-4-2-3-5-13(12)11-21-19(25)22-14-6-7-15-16(10-14)24-17(23-15)18-20-8-9-26-18/h2-10H,11H2,1H3,(H,23,24)(H2,21,22,25).
What are the key properties of 1-[(2-methylphenyl)methyl]-3-[2-(1,3-thiazol-2-yl)-3H-benzimidazol-5-yl]urea?
1-[(2-methylphenyl)methyl]-3-[2-(1,3-thiazol-2-yl)-3H-benzimidazol-5-yl]urea has a molecular weight of 363.45 g/mol, XLogP of 4.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]-3-[2-(1,3-thiazol-2-yl)-3H-benzimidazol-5-yl]urea is sourced from PubChem (CID 91000697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).