cis-(1R,2S)-2-(1H-imidazole-5-carbonyl)-N-[3-(1H-imidazol-5-yl)-3-oxopropyl]cyclopropane-1-carboxamide

C14H15N5O3 — CID 67566420

IUPACcis-(1R,2S)-2-(1H-imidazole-5-carbonyl)-N-[3-(1H-imidazol-5-yl)-3-oxopropyl]cyclopropane-1-carboxamide
SMILESO=C(CCNC(=O)[C@@H]1C[C@@H]1C(=O)c1cnc[nH]1)c1cnc[nH]1
InChIInChI=1S/C14H15N5O3/c20-12(10-4-15-6-18-10)1-2-17-14(22)9-3-8(9)13(21)11-5-16-7-19-11/h4-9H,1-3H2,(H,15,18)(H,16,19)(H,17,22)/t8-,9+/m0/s1
InChIKeyHEEGHOCCGAKVAH-DTWKUNHWSA-N
MW301.31 g/mol
LogP0.34
Rot. Bonds7

About cis-(1R,2S)-2-(1H-imidazole-5-carbonyl)-N-[3-(1H-imidazol-5-yl)-3-oxopropyl]cyclopropane-1-carboxamide

cis-(1R,2S)-2-(1H-imidazole-5-carbonyl)-N-[3-(1H-imidazol-5-yl)-3-oxopropyl]cyclopropane-1-carboxamide (PubChem CID 67566420) has the molecular formula C14H15N5O3 and a molecular weight of 301.31 g/mol. Its IUPAC name is cis-(1R,2S)-2-(1H-imidazole-5-carbonyl)-N-[3-(1H-imidazol-5-yl)-3-oxopropyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-(1H-imidazole-5-carbonyl)-N-[3-(1H-imidazol-5-yl)-3-oxopropyl]cyclopropane-1-carboxamide
PubChem CID67566420
Molecular FormulaC14H15N5O3
Molecular Weight301.31 g/mol
Exact Mass301.12
IUPAC Namecis-(1R,2S)-2-(1H-imidazole-5-carbonyl)-N-[3-(1H-imidazol-5-yl)-3-oxopropyl]cyclopropane-1-carboxamide
SMILESO=C(CCNC(=O)[C@@H]1C[C@@H]1C(=O)c1cnc[nH]1)c1cnc[nH]1
InChIInChI=1S/C14H15N5O3/c20-12(10-4-15-6-18-10)1-2-17-14(22)9-3-8(9)13(21)11-5-16-7-19-11/h4-9H,1-3H2,(H,15,18)(H,16,19)(H,17,22)/t8-,9+/m0/s1
InChIKeyHEEGHOCCGAKVAH-DTWKUNHWSA-N
XLogP0.34
TPSA120.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze cis-(1R,2S)-2-(1H-imidazole-5-carbonyl)-N-[3-(1H-imidazol-5-yl)-3-oxopropyl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(1H-imidazole-5-carbonyl)-N-[3-(1H-imidazol-5-yl)-3-oxopropyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-(1H-imidazole-5-carbonyl)-N-[3-(1H-imidazol-5-yl)-3-oxopropyl]cyclopropane-1-carboxamide (CID 67566420) is cis-(1R,2S)-2-(1H-imidazole-5-carbonyl)-N-[3-(1H-imidazol-5-yl)-3-oxopropyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-(1H-imidazole-5-carbonyl)-N-[3-(1H-imidazol-5-yl)-3-oxopropyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-(1H-imidazole-5-carbonyl)-N-[3-(1H-imidazol-5-yl)-3-oxopropyl]cyclopropane-1-carboxamide is O=C(CCNC(=O)[C@@H]1C[C@@H]1C(=O)c1cnc[nH]1)c1cnc[nH]1.
What is the InChIKey of cis-(1R,2S)-2-(1H-imidazole-5-carbonyl)-N-[3-(1H-imidazol-5-yl)-3-oxopropyl]cyclopropane-1-carboxamide?
The InChIKey is HEEGHOCCGAKVAH-DTWKUNHWSA-N. The full InChI is InChI=1S/C14H15N5O3/c20-12(10-4-15-6-18-10)1-2-17-14(22)9-3-8(9)13(21)11-5-16-7-19-11/h4-9H,1-3H2,(H,15,18)(H,16,19)(H,17,22)/t8-,9+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(1H-imidazole-5-carbonyl)-N-[3-(1H-imidazol-5-yl)-3-oxopropyl]cyclopropane-1-carboxamide?
cis-(1R,2S)-2-(1H-imidazole-5-carbonyl)-N-[3-(1H-imidazol-5-yl)-3-oxopropyl]cyclopropane-1-carboxamide has a molecular weight of 301.31 g/mol, XLogP of 0.34, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(1H-imidazole-5-carbonyl)-N-[3-(1H-imidazol-5-yl)-3-oxopropyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 67566420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).