2-[[[4-(5-fluoro-2-methylbenzimidazol-1-yl)cyclohexyl]amino]methyl]-2,3-dihydro-1H-indene-5-carbonitrile

C25H27FN4 — CID 66877257

IUPAC2-[[[4-(5-fluoro-2-methylbenzimidazol-1-yl)cyclohexyl]amino]methyl]-2,3-dihydro-1H-indene-5-carbonitrile
SMILESCc1nc2cc(F)ccc2n1C1CCC(NCC2Cc3ccc(C#N)cc3C2)CC1
InChIInChI=1S/C25H27FN4/c1-16-29-24-13-21(26)4-9-25(24)30(16)23-7-5-22(6-8-23)28-15-18-11-19-3-2-17(14-27)10-20(19)12-18/h2-4,9-10,13,18,22-23,28H,5-8,11-12,15H2,1H3
InChIKeyKQTXWKJKIOAAAJ-UHFFFAOYSA-N
MW402.52 g/mol
LogP4.84
Rot. Bonds4

About 2-[[[4-(5-fluoro-2-methylbenzimidazol-1-yl)cyclohexyl]amino]methyl]-2,3-dihydro-1H-indene-5-carbonitrile

2-[[[4-(5-fluoro-2-methylbenzimidazol-1-yl)cyclohexyl]amino]methyl]-2,3-dihydro-1H-indene-5-carbonitrile (PubChem CID 66877257) has the molecular formula C25H27FN4 and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-[[[4-(5-fluoro-2-methylbenzimidazol-1-yl)cyclohexyl]amino]methyl]-2,3-dihydro-1H-indene-5-carbonitrile.

Molecular Properties

Compound Name2-[[[4-(5-fluoro-2-methylbenzimidazol-1-yl)cyclohexyl]amino]methyl]-2,3-dihydro-1H-indene-5-carbonitrile
PubChem CID66877257
Molecular FormulaC25H27FN4
Molecular Weight402.52 g/mol
Exact Mass402.22
IUPAC Name2-[[[4-(5-fluoro-2-methylbenzimidazol-1-yl)cyclohexyl]amino]methyl]-2,3-dihydro-1H-indene-5-carbonitrile
SMILESCc1nc2cc(F)ccc2n1C1CCC(NCC2Cc3ccc(C#N)cc3C2)CC1
InChIInChI=1S/C25H27FN4/c1-16-29-24-13-21(26)4-9-25(24)30(16)23-7-5-22(6-8-23)28-15-18-11-19-3-2-17(14-27)10-20(19)12-18/h2-4,9-10,13,18,22-23,28H,5-8,11-12,15H2,1H3
InChIKeyKQTXWKJKIOAAAJ-UHFFFAOYSA-N
XLogP4.84
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[[4-(5-fluoro-2-methylbenzimidazol-1-yl)cyclohexyl]amino]methyl]-2,3-dihydro-1H-indene-5-carbonitrile with MolForge

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Related Compounds

1-(Cyclohexylamino)-3-isopropylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 706089
2-Benzyl-1-[2-(dimethylamino)ethylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 989046
11-(butylamino)-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3112194
6-Methyl-7-phenyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]pentadeca-2,4(8),5,9-tetraene
CID 9860762
4''-[(1-cyclopropylmethyl-piperidin-4-ylidene)-(5,6-difluoro-1H-benzoimidazol-2-yl)-methyl]-biphenyl-3-carbonitrile
CID 11562056
4''-[(5-fluoro-6-trifluoromethyl-1H-benzoimidazol-2-yl)-piperidin-4-ylidene-methyl]-biphenyl-3-carbonitrile
CID 11698592
1-(4-fluorobenzyl)-N-(1-phenethylpiperidin-4-yl)-1H-benzo[d]imidazol-2-amine
CID 12891521
4-(2,6-Dimethylbenzylamino)-1,2-dimethylbenzimidazole
CID 18414685
cis-(S)-2-({4-[5-Chloro-2-(1-hydroxy-1-methyl-ethyl)-benzoimidazol-1-yl]-cyclohexylamino}-methyl)-indan-5-carbonitrile
CID 24808474
cis-(S)-2-{[4-(2,5-Dimethyl-benzoimidazol-1-yl)-cyclohexylamino]-methyl}-indan-5-carbonitrile
CID 24952418
cis-(S)-2-({4-[2-(1-hydroxy-1-methyl-ethyl)-5-methyl-benzoimidazole-1-yl]-cyclohexylamino}-methyl)-indan-5-carbonitrile
CID 24952419
cis-(S)-2-{[4-(5-Fluoro-2-methyl-benzoimidazol-1-yl)-cyclohexylamino]-methyl}-indan-5-carbonitrile
CID 24952765

Frequently Asked Questions

What is the IUPAC name of 2-[[[4-(5-fluoro-2-methylbenzimidazol-1-yl)cyclohexyl]amino]methyl]-2,3-dihydro-1H-indene-5-carbonitrile?
The IUPAC name of 2-[[[4-(5-fluoro-2-methylbenzimidazol-1-yl)cyclohexyl]amino]methyl]-2,3-dihydro-1H-indene-5-carbonitrile (CID 66877257) is 2-[[[4-(5-fluoro-2-methylbenzimidazol-1-yl)cyclohexyl]amino]methyl]-2,3-dihydro-1H-indene-5-carbonitrile.
What is the SMILES notation for 2-[[[4-(5-fluoro-2-methylbenzimidazol-1-yl)cyclohexyl]amino]methyl]-2,3-dihydro-1H-indene-5-carbonitrile?
The canonical SMILES for 2-[[[4-(5-fluoro-2-methylbenzimidazol-1-yl)cyclohexyl]amino]methyl]-2,3-dihydro-1H-indene-5-carbonitrile is Cc1nc2cc(F)ccc2n1C1CCC(NCC2Cc3ccc(C#N)cc3C2)CC1.
What is the InChIKey of 2-[[[4-(5-fluoro-2-methylbenzimidazol-1-yl)cyclohexyl]amino]methyl]-2,3-dihydro-1H-indene-5-carbonitrile?
The InChIKey is KQTXWKJKIOAAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4/c1-16-29-24-13-21(26)4-9-25(24)30(16)23-7-5-22(6-8-23)28-15-18-11-19-3-2-17(14-27)10-20(19)12-18/h2-4,9-10,13,18,22-23,28H,5-8,11-12,15H2,1H3.
What are the key properties of 2-[[[4-(5-fluoro-2-methylbenzimidazol-1-yl)cyclohexyl]amino]methyl]-2,3-dihydro-1H-indene-5-carbonitrile?
2-[[[4-(5-fluoro-2-methylbenzimidazol-1-yl)cyclohexyl]amino]methyl]-2,3-dihydro-1H-indene-5-carbonitrile has a molecular weight of 402.52 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[4-(5-fluoro-2-methylbenzimidazol-1-yl)cyclohexyl]amino]methyl]-2,3-dihydro-1H-indene-5-carbonitrile is sourced from PubChem (CID 66877257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).