(4S)-4-(1-butylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

C17H21N5 — CID 95195444

IUPAC(4S)-4-(1-butylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESCCCCn1c([C@H]2NCCc3[nH]cnc32)nc2ccccc21
InChIInChI=1S/C17H21N5/c1-2-3-10-22-14-7-5-4-6-12(14)21-17(22)16-15-13(8-9-18-16)19-11-20-15/h4-7,11,16,18H,2-3,8-10H2,1H3,(H,19,20)/t16-/m0/s1
InChIKeyQTJKQGZBZRJHKW-INIZCTEOSA-N
MW295.39 g/mol
LogP2.79
Rot. Bonds4

About (4S)-4-(1-butylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

(4S)-4-(1-butylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (PubChem CID 95195444) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is (4S)-4-(1-butylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(4S)-4-(1-butylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
PubChem CID95195444
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name(4S)-4-(1-butylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESCCCCn1c([C@H]2NCCc3[nH]cnc32)nc2ccccc21
InChIInChI=1S/C17H21N5/c1-2-3-10-22-14-7-5-4-6-12(14)21-17(22)16-15-13(8-9-18-16)19-11-20-15/h4-7,11,16,18H,2-3,8-10H2,1H3,(H,19,20)/t16-/m0/s1
InChIKeyQTJKQGZBZRJHKW-INIZCTEOSA-N
XLogP2.79
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4S)-4-(1-butylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine with MolForge

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Related Compounds

1-hexyl-2-pyrrolidin-2-ylbenzimidazole
CID 175346334
9-ethyl-3-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]carbazole
CID 95141152
1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole
CID 4014777
2-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)quinoline
CID 169166664
1-butyl-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16615336
2-(4-methylpiperidin-2-yl)-1-propylbenzimidazole
CID 114422438
ethyl (4S)-4-(1-butylbenzimidazol-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 51613185
1-butyl-2-[5-(1-butylbenzimidazol-2-yl)pyrazin-2-yl]benzimidazole
CID 102420307
1-ethyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002392
1-ethyl-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002391
4-(1-hexadecylbenzimidazol-2-yl)-1-methylpyrrolidin-2-one
CID 17002249
(4R)-4-(1-butylbenzimidazol-2-yl)-1-(2-ethylphenyl)pyrrolidin-2-one
CID 40692501

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(1-butylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The IUPAC name of (4S)-4-(1-butylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (CID 95195444) is (4S)-4-(1-butylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for (4S)-4-(1-butylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for (4S)-4-(1-butylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is CCCCn1c([C@H]2NCCc3[nH]cnc32)nc2ccccc21.
What is the InChIKey of (4S)-4-(1-butylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The InChIKey is QTJKQGZBZRJHKW-INIZCTEOSA-N. The full InChI is InChI=1S/C17H21N5/c1-2-3-10-22-14-7-5-4-6-12(14)21-17(22)16-15-13(8-9-18-16)19-11-20-15/h4-7,11,16,18H,2-3,8-10H2,1H3,(H,19,20)/t16-/m0/s1.
What are the key properties of (4S)-4-(1-butylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
(4S)-4-(1-butylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine has a molecular weight of 295.39 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(1-butylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 95195444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).