N-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-2,6-dimethylpyrimidine-4-carboxamide

C21H25N5O — CID 131949570

IUPACN-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-2,6-dimethylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCC2CCC(c3nc4ccccc4[nH]3)CC2)nc(C)n1
InChIInChI=1S/C21H25N5O/c1-13-11-19(24-14(2)23-13)21(27)22-12-15-7-9-16(10-8-15)20-25-17-5-3-4-6-18(17)26-20/h3-6,11,15-16H,7-10,12H2,1-2H3,(H,22,27)(H,25,26)
InChIKeyVKMZDELCPFOYMJ-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.67
Rot. Bonds4

About N-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-2,6-dimethylpyrimidine-4-carboxamide

N-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-2,6-dimethylpyrimidine-4-carboxamide (PubChem CID 131949570) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-2,6-dimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-2,6-dimethylpyrimidine-4-carboxamide
PubChem CID131949570
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-2,6-dimethylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCC2CCC(c3nc4ccccc4[nH]3)CC2)nc(C)n1
InChIInChI=1S/C21H25N5O/c1-13-11-19(24-14(2)23-13)21(27)22-12-15-7-9-16(10-8-15)20-25-17-5-3-4-6-18(17)26-20/h3-6,11,15-16H,7-10,12H2,1-2H3,(H,22,27)(H,25,26)
InChIKeyVKMZDELCPFOYMJ-UHFFFAOYSA-N
XLogP3.67
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-2,6-dimethylpyrimidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-2,6-dimethylpyrimidine-4-carboxamide?
The IUPAC name of N-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-2,6-dimethylpyrimidine-4-carboxamide (CID 131949570) is N-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-2,6-dimethylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-2,6-dimethylpyrimidine-4-carboxamide?
The canonical SMILES for N-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-2,6-dimethylpyrimidine-4-carboxamide is Cc1cc(C(=O)NCC2CCC(c3nc4ccccc4[nH]3)CC2)nc(C)n1.
What is the InChIKey of N-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-2,6-dimethylpyrimidine-4-carboxamide?
The InChIKey is VKMZDELCPFOYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-13-11-19(24-14(2)23-13)21(27)22-12-15-7-9-16(10-8-15)20-25-17-5-3-4-6-18(17)26-20/h3-6,11,15-16H,7-10,12H2,1-2H3,(H,22,27)(H,25,26).
What are the key properties of N-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-2,6-dimethylpyrimidine-4-carboxamide?
N-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-2,6-dimethylpyrimidine-4-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-2,6-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 131949570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).