1-(3-aminopropyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carboxamido)-1H-benzo[d]imidazole-5-carboxamide

C23H29N5O2S — CID 10114123

IUPAC1-(3-aminopropyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide
SMILESCN(C1CCCCC1)C(=O)C2=CC3=C(C=C2)N(C(=N3)NC(=O)C4=CC=CS4)CCCN
InChIInChI=1S/C23H29N5O2S/c1-27(17-7-3-2-4-8-17)22(30)16-10-11-19-18(15-16)25-23(28(19)13-6-12-24)26-21(29)20-9-5-14-31-20/h5,9-11,14-15,17H,2-4,6-8,12-13,24H2,1H3,(H,25,26,29)
InChIKeyFCKYGPKVIITXMO-UHFFFAOYSA-N
MW439.60 g/mol
LogP3.20
Rot. Bonds7

About 1-(3-aminopropyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carboxamido)-1H-benzo[d]imidazole-5-carboxamide

1-(3-aminopropyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carboxamido)-1H-benzo[d]imidazole-5-carboxamide (PubChem CID 10114123) has the molecular formula C23H29N5O2S and a molecular weight of 439.60 g/mol. Its IUPAC name is 1-(3-aminopropyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-aminopropyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carboxamido)-1H-benzo[d]imidazole-5-carboxamide
PubChem CID10114123
Molecular FormulaC23H29N5O2S
Molecular Weight439.60 g/mol
Exact Mass439.20
IUPAC Name1-(3-aminopropyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide
SMILESCN(C1CCCCC1)C(=O)C2=CC3=C(C=C2)N(C(=N3)NC(=O)C4=CC=CS4)CCCN
InChIInChI=1S/C23H29N5O2S/c1-27(17-7-3-2-4-8-17)22(30)16-10-11-19-18(15-16)25-23(28(19)13-6-12-24)26-21(29)20-9-5-14-31-20/h5,9-11,14-15,17H,2-4,6-8,12-13,24H2,1H3,(H,25,26,29)
InChIKeyFCKYGPKVIITXMO-UHFFFAOYSA-N
XLogP3.20
TPSA121.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity629

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3-aminopropyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carboxamido)-1H-benzo[d]imidazole-5-carboxamide with MolForge

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Related Compounds

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CID 4122
Prn-694
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N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(pyridin-4-yl)thiophene-2-carboxamide
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CID 25190519
N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-cyanothiophene-2-carboxamide
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N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-acetylthiophene-2-carboxamide
CID 25190522
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(pyridin-3-yl)thiophene-2-carboxamide
CID 25190527
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 25190532

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carboxamido)-1H-benzo[d]imidazole-5-carboxamide?
The IUPAC name of 1-(3-aminopropyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carboxamido)-1H-benzo[d]imidazole-5-carboxamide (CID 10114123) is 1-(3-aminopropyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(3-aminopropyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carboxamido)-1H-benzo[d]imidazole-5-carboxamide?
The canonical SMILES for 1-(3-aminopropyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carboxamido)-1H-benzo[d]imidazole-5-carboxamide is CN(C1CCCCC1)C(=O)C2=CC3=C(C=C2)N(C(=N3)NC(=O)C4=CC=CS4)CCCN.
What is the InChIKey of 1-(3-aminopropyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carboxamido)-1H-benzo[d]imidazole-5-carboxamide?
The InChIKey is FCKYGPKVIITXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2S/c1-27(17-7-3-2-4-8-17)22(30)16-10-11-19-18(15-16)25-23(28(19)13-6-12-24)26-21(29)20-9-5-14-31-20/h5,9-11,14-15,17H,2-4,6-8,12-13,24H2,1H3,(H,25,26,29).
What are the key properties of 1-(3-aminopropyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carboxamido)-1H-benzo[d]imidazole-5-carboxamide?
1-(3-aminopropyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carboxamido)-1H-benzo[d]imidazole-5-carboxamide has a molecular weight of 439.60 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carboxamido)-1H-benzo[d]imidazole-5-carboxamide is sourced from PubChem (CID 10114123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).