5-[[4-[(2-chlorophenyl)methyl]pyrimidin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one

C18H14ClN5O — CID 148698162

IUPAC5-[[4-[(2-chlorophenyl)methyl]pyrimidin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(Nc3nccc(Cc4ccccc4Cl)n3)cc2[nH]1
InChIInChI=1S/C18H14ClN5O/c19-14-4-2-1-3-11(14)9-13-7-8-20-17(22-13)21-12-5-6-15-16(10-12)24-18(25)23-15/h1-8,10H,9H2,(H,20,21,22)(H2,23,24,25)
InChIKeyNUVKKAIDFUQWQC-UHFFFAOYSA-N
MW351.80 g/mol
LogP3.63
Rot. Bonds4

About 5-[[4-[(2-chlorophenyl)methyl]pyrimidin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one

5-[[4-[(2-chlorophenyl)methyl]pyrimidin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 148698162) has the molecular formula C18H14ClN5O and a molecular weight of 351.80 g/mol. Its IUPAC name is 5-[[4-[(2-chlorophenyl)methyl]pyrimidin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[[4-[(2-chlorophenyl)methyl]pyrimidin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one
PubChem CID148698162
Molecular FormulaC18H14ClN5O
Molecular Weight351.80 g/mol
Exact Mass351.09
IUPAC Name5-[[4-[(2-chlorophenyl)methyl]pyrimidin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(Nc3nccc(Cc4ccccc4Cl)n3)cc2[nH]1
InChIInChI=1S/C18H14ClN5O/c19-14-4-2-1-3-11(14)9-13-7-8-20-17(22-13)21-12-5-6-15-16(10-12)24-18(25)23-15/h1-8,10H,9H2,(H,20,21,22)(H2,23,24,25)
InChIKeyNUVKKAIDFUQWQC-UHFFFAOYSA-N
XLogP3.63
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.80
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-[(2-chlorophenyl)methyl]pyrimidin-2-yl]amino]benzamide
CID 160807964
1-[4-[[4-[(2-chlorophenyl)methyl]pyrimidin-2-yl]amino]phenyl]-4-(dimethylamino)butan-1-one
CID 153069790
5-[[4,6-bis(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one
CID 146542596
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazole-4-carboxamide
CID 35595678
2-(2,6-dichlorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 18103957
5-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1,3-dihydrobenzimidazol-2-one
CID 1143869
2-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
CID 50796598
5-[1-chloro-2-(2-chlorophenyl)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 61085374
5-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]-1,3-dihydrobenzimidazol-2-one
CID 17058853
5-[(2-chloro-5-nitropyrimidin-4-yl)amino]-1,3-dihydrobenzimidazol-2-one
CID 142478716
4-N-(3-chloro-4-fluorophenyl)-2-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891827
4-(aminomethyl)-2-[(2-chlorophenyl)methyl]-1H-pyrimidin-6-one
CID 135978376

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(2-chlorophenyl)methyl]pyrimidin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[[4-[(2-chlorophenyl)methyl]pyrimidin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one (CID 148698162) is 5-[[4-[(2-chlorophenyl)methyl]pyrimidin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[[4-[(2-chlorophenyl)methyl]pyrimidin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[[4-[(2-chlorophenyl)methyl]pyrimidin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(Nc3nccc(Cc4ccccc4Cl)n3)cc2[nH]1.
What is the InChIKey of 5-[[4-[(2-chlorophenyl)methyl]pyrimidin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is NUVKKAIDFUQWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O/c19-14-4-2-1-3-11(14)9-13-7-8-20-17(22-13)21-12-5-6-15-16(10-12)24-18(25)23-15/h1-8,10H,9H2,(H,20,21,22)(H2,23,24,25).
What are the key properties of 5-[[4-[(2-chlorophenyl)methyl]pyrimidin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one?
5-[[4-[(2-chlorophenyl)methyl]pyrimidin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 351.80 g/mol, XLogP of 3.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(2-chlorophenyl)methyl]pyrimidin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 148698162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).