[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]carbamic acid

C18H19ClN6O2 — CID 67971230

IUPAC[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]carbamic acid
SMILESCn1c(-c2nc(N3CCC(NC(=O)O)CC3)ncc2Cl)nc2ccccc21
InChIInChI=1S/C18H19ClN6O2/c1-24-14-5-3-2-4-13(14)22-16(24)15-12(19)10-20-17(23-15)25-8-6-11(7-9-25)21-18(26)27/h2-5,10-11,21H,6-9H2,1H3,(H,26,27)
InChIKeyNQKAZAYJEAACQC-UHFFFAOYSA-N
MW386.84 g/mol
LogP2.92
Rot. Bonds3

About [1-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]carbamic acid

[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]carbamic acid (PubChem CID 67971230) has the molecular formula C18H19ClN6O2 and a molecular weight of 386.84 g/mol. Its IUPAC name is [1-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]carbamic acid
PubChem CID67971230
Molecular FormulaC18H19ClN6O2
Molecular Weight386.84 g/mol
Exact Mass386.13
IUPAC Name[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]carbamic acid
SMILESCn1c(-c2nc(N3CCC(NC(=O)O)CC3)ncc2Cl)nc2ccccc21
InChIInChI=1S/C18H19ClN6O2/c1-24-14-5-3-2-4-13(14)22-16(24)15-12(19)10-20-17(23-15)25-8-6-11(7-9-25)21-18(26)27/h2-5,10-11,21H,6-9H2,1H3,(H,26,27)
InChIKeyNQKAZAYJEAACQC-UHFFFAOYSA-N
XLogP2.92
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-chloro-2-methylsulfanylpyrimidin-4-yl)-1-methylbenzimidazole
CID 67970615
1-[1-[5-fluoro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-3-methylurea
CID 67971597
N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]cyclobutanecarboxamide
CID 165434989
N-cyclopentyl-2-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]acetamide
CID 171994814
[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]carbamic acid
CID 67365390
N-[1-[5-methyl-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
CID 67971545
2-[5-chloro-2-(3-methylsulfonylpyrrolidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole
CID 67971565
1-(3-chlorophenyl)-3-[1-(4-methyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea
CID 46393184
N-[1-[5-chloro-4-(5-methyl-2-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide
CID 69045593
1-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]piperazine-2,3-dione
CID 67971818
1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-hydroxyethanone
CID 67971928
2-[5-chloro-2-(4-prop-1-en-2-ylpiperazin-1-yl)-4-pyridinyl]-1-methylbenzimidazole
CID 67988569

Frequently Asked Questions

What is the IUPAC name of [1-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]carbamic acid?
The IUPAC name of [1-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]carbamic acid (CID 67971230) is [1-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]carbamic acid is Cn1c(-c2nc(N3CCC(NC(=O)O)CC3)ncc2Cl)nc2ccccc21.
What is the InChIKey of [1-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]carbamic acid?
The InChIKey is NQKAZAYJEAACQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O2/c1-24-14-5-3-2-4-13(14)22-16(24)15-12(19)10-20-17(23-15)25-8-6-11(7-9-25)21-18(26)27/h2-5,10-11,21H,6-9H2,1H3,(H,26,27).
What are the key properties of [1-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]carbamic acid?
[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]carbamic acid has a molecular weight of 386.84 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperidin-4-yl]carbamic acid is sourced from PubChem (CID 67971230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).