1-tert-butyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea

C15H22N4O — CID 110747230

IUPAC1-tert-butyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea
SMILESCn1c(CCNC(=O)NC(C)(C)C)nc2ccccc21
InChIInChI=1S/C15H22N4O/c1-15(2,3)18-14(20)16-10-9-13-17-11-7-5-6-8-12(11)19(13)4/h5-8H,9-10H2,1-4H3,(H2,16,18,20)
InChIKeyOMIZPCTTXVFFGB-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.21
Rot. Bonds3

About 1-tert-butyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea

1-tert-butyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea (PubChem CID 110747230) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-tert-butyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea
PubChem CID110747230
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1-tert-butyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea
SMILESCn1c(CCNC(=O)NC(C)(C)C)nc2ccccc21
InChIInChI=1S/C15H22N4O/c1-15(2,3)18-14(20)16-10-9-13-17-11-7-5-6-8-12(11)19(13)4/h5-8H,9-10H2,1-4H3,(H2,16,18,20)
InChIKeyOMIZPCTTXVFFGB-UHFFFAOYSA-N
XLogP2.21
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl N-[2-(1-methylbenzimidazol-2-yl)ethyl]carbamate
CID 110711959
1-cyclopentyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea;formic acid
CID 154903685
3,4-difluoro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 110711954
1-(2,2-dimethylpropyl)-3-[(1-methylbenzimidazol-2-yl)methyl]urea
CID 110747240
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-phenoxypropanamide
CID 110711950
4-[3-[2-(1-methylbenzimidazol-2-yl)ethylamino]-3-oxoprop-1-enyl]benzoic acid
CID 91943240
2-(cyclopropylmethylsulfanyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 90648634
2-(4-chlorophenoxy)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 16978760
3-(1-methylbenzimidazol-2-yl)propanoate
CID 7036074
2-(ethylamino)-4-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 71852564
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide
CID 91918229
N-[2-(1-methylbenzimidazol-2-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 53193500

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea?
The IUPAC name of 1-tert-butyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea (CID 110747230) is 1-tert-butyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea?
The canonical SMILES for 1-tert-butyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea is Cn1c(CCNC(=O)NC(C)(C)C)nc2ccccc21.
What is the InChIKey of 1-tert-butyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea?
The InChIKey is OMIZPCTTXVFFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-15(2,3)18-14(20)16-10-9-13-17-11-7-5-6-8-12(11)19(13)4/h5-8H,9-10H2,1-4H3,(H2,16,18,20).
What are the key properties of 1-tert-butyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea?
1-tert-butyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea has a molecular weight of 274.37 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea is sourced from PubChem (CID 110747230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).